4-[[(4-amino-2-hydroxyphenyl)-pyridin-4-ylmethyl]amino]-4-cyclohexyl-N-[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide

C33H51N5O4 — CID 91479445

IUPAC4-[[(4-amino-2-hydroxyphenyl)-pyridin-4-ylmethyl]amino]-4-cyclohexyl-N-[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide
SMILESCC(C)(C)OCC(CN1CCOCC1)NC(=O)CCC(NC(c1ccncc1)c1ccc(N)cc1O)C1CCCCC1
InChIInChI=1S/C33H51N5O4/c1-33(2,3)42-23-27(22-38-17-19-41-20-18-38)36-31(40)12-11-29(24-7-5-4-6-8-24)37-32(25-13-15-35-16-14-25)28-10-9-26(34)21-30(28)39/h9-10,13-16,21,24,27,29,32,37,39H,4-8,11-12,17-20,22-23,34H2,1-3H3,(H,36,40)
InChIKeyOBVBZHQBZQVSIN-UHFFFAOYSA-N
MW581.80 g/mol
LogP4.41
Rot. Bonds13

About 4-[[(4-amino-2-hydroxyphenyl)-pyridin-4-ylmethyl]amino]-4-cyclohexyl-N-[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide

4-[[(4-amino-2-hydroxyphenyl)-pyridin-4-ylmethyl]amino]-4-cyclohexyl-N-[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide (PubChem CID 91479445) has the molecular formula C33H51N5O4 and a molecular weight of 581.80 g/mol. Its IUPAC name is 4-[[(4-amino-2-hydroxyphenyl)-pyridin-4-ylmethyl]amino]-4-cyclohexyl-N-[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide.

Molecular Properties

Compound Name4-[[(4-amino-2-hydroxyphenyl)-pyridin-4-ylmethyl]amino]-4-cyclohexyl-N-[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide
PubChem CID91479445
Molecular FormulaC33H51N5O4
Molecular Weight581.80 g/mol
Exact Mass581.39
IUPAC Name4-[[(4-amino-2-hydroxyphenyl)-pyridin-4-ylmethyl]amino]-4-cyclohexyl-N-[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide
SMILESCC(C)(C)OCC(CN1CCOCC1)NC(=O)CCC(NC(c1ccncc1)c1ccc(N)cc1O)C1CCCCC1
InChIInChI=1S/C33H51N5O4/c1-33(2,3)42-23-27(22-38-17-19-41-20-18-38)36-31(40)12-11-29(24-7-5-4-6-8-24)37-32(25-13-15-35-16-14-25)28-10-9-26(34)21-30(28)39/h9-10,13-16,21,24,27,29,32,37,39H,4-8,11-12,17-20,22-23,34H2,1-3H3,(H,36,40)
InChIKeyOBVBZHQBZQVSIN-UHFFFAOYSA-N
XLogP4.41
TPSA121.97 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.80
LogP ≤ 54.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[[(4-amino-2-hydroxyphenyl)-pyridin-4-ylmethyl]amino]-4-cyclohexyl-N-[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(1S)-1-cyclohexyl-4-[[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]amino]-4-oxobutyl]carbamate
CID 67023693
(4S)-4-amino-4-cyclohexyl-N-[(2S)-1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide
CID 67023556
N-[(R)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide
CID 92558586
N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide
CID 92558587
(4S)-4-[(5-amino-2-phenoxy-4-pyridinyl)methylamino]-4-cyclohexyl-N-[(2S)-2-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropyl]butanamide
CID 67023726
tert-butyl N-[(1S,2R)-1-bromo-1-cyclohexyl-3-morpholin-4-ylpropan-2-yl]carbamate
CID 46838857
tert-butyl N-[(1R,2S)-2-bromo-1-cyclohexyl-3-morpholin-4-ylpropyl]carbamate
CID 46839009
4-(2-amino-6-phenoxy-4H-pyrido[3,4-d]pyrimidin-3-yl)-4-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxy]-1-morpholin-4-yl-1-oxopropan-2-yl]butanamide
CID 68888174
4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride
CID 120565520
tert-butyl 3-[1-(2,4-dihydroxyphenyl)ethylamino]pyrrolidine-1-carboxylate
CID 107239371
methyl 2-[[(4R)-4-[(5-amino-2-phenoxy-4-pyridinyl)methylamino]-4-cyclohexylbutanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 67023473
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylacetamide
CID 110444227

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-amino-2-hydroxyphenyl)-pyridin-4-ylmethyl]amino]-4-cyclohexyl-N-[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide?
The IUPAC name of 4-[[(4-amino-2-hydroxyphenyl)-pyridin-4-ylmethyl]amino]-4-cyclohexyl-N-[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide (CID 91479445) is 4-[[(4-amino-2-hydroxyphenyl)-pyridin-4-ylmethyl]amino]-4-cyclohexyl-N-[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide.
What is the SMILES notation for 4-[[(4-amino-2-hydroxyphenyl)-pyridin-4-ylmethyl]amino]-4-cyclohexyl-N-[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide?
The canonical SMILES for 4-[[(4-amino-2-hydroxyphenyl)-pyridin-4-ylmethyl]amino]-4-cyclohexyl-N-[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide is CC(C)(C)OCC(CN1CCOCC1)NC(=O)CCC(NC(c1ccncc1)c1ccc(N)cc1O)C1CCCCC1.
What is the InChIKey of 4-[[(4-amino-2-hydroxyphenyl)-pyridin-4-ylmethyl]amino]-4-cyclohexyl-N-[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide?
The InChIKey is OBVBZHQBZQVSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51N5O4/c1-33(2,3)42-23-27(22-38-17-19-41-20-18-38)36-31(40)12-11-29(24-7-5-4-6-8-24)37-32(25-13-15-35-16-14-25)28-10-9-26(34)21-30(28)39/h9-10,13-16,21,24,27,29,32,37,39H,4-8,11-12,17-20,22-23,34H2,1-3H3,(H,36,40).
What are the key properties of 4-[[(4-amino-2-hydroxyphenyl)-pyridin-4-ylmethyl]amino]-4-cyclohexyl-N-[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide?
4-[[(4-amino-2-hydroxyphenyl)-pyridin-4-ylmethyl]amino]-4-cyclohexyl-N-[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide has a molecular weight of 581.80 g/mol, XLogP of 4.41, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-amino-2-hydroxyphenyl)-pyridin-4-ylmethyl]amino]-4-cyclohexyl-N-[1-[(2-methylpropan-2-yl)oxy]-3-morpholin-4-ylpropan-2-yl]butanamide is sourced from PubChem (CID 91479445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).