2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

C22H35N3O3 — CID 51226589

IUPAC2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCOc1ccc(CN(CC(=O)NCC2CN(CC(C)C)CCO2)C2CC2)cc1
InChIInChI=1S/C22H35N3O3/c1-17(2)13-24-10-11-28-21(15-24)12-23-22(26)16-25(19-6-7-19)14-18-4-8-20(27-3)9-5-18/h4-5,8-9,17,19,21H,6-7,10-16H2,1-3H3,(H,23,26)
InChIKeyKTPYMLWWLQGDDH-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.13
Rot. Bonds10

About 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (PubChem CID 51226589) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
PubChem CID51226589
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Name2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCOc1ccc(CN(CC(=O)NCC2CN(CC(C)C)CCO2)C2CC2)cc1
InChIInChI=1S/C22H35N3O3/c1-17(2)13-24-10-11-28-21(15-24)12-23-22(26)16-25(19-6-7-19)14-18-4-8-20(27-3)9-5-18/h4-5,8-9,17,19,21H,6-7,10-16H2,1-3H3,(H,23,26)
InChIKeyKTPYMLWWLQGDDH-UHFFFAOYSA-N
XLogP2.13
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55682446
2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55551459
1-[(4-methoxyphenyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]urea
CID 42889274
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55430883
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369171
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]butanamide
CID 55938732
3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 134032540
1-[(6-methoxynaphthalen-2-yl)methyl]-2-methyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369271
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
2-[methyl-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]acetic acid
CID 119905834
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
2-(4-cyanophenoxy)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51214759

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The IUPAC name of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (CID 51226589) is 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The canonical SMILES for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is COc1ccc(CN(CC(=O)NCC2CN(CC(C)C)CCO2)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The InChIKey is KTPYMLWWLQGDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-17(2)13-24-10-11-28-21(15-24)12-23-22(26)16-25(19-6-7-19)14-18-4-8-20(27-3)9-5-18/h4-5,8-9,17,19,21H,6-7,10-16H2,1-3H3,(H,23,26).
What are the key properties of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide has a molecular weight of 389.54 g/mol, XLogP of 2.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 51226589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).