N-(cyclopropylmethyl)-N-[[4-[2-hydroxy-3-(2-methylphenoxy)propyl]morpholin-2-yl]methyl]-4-methylbenzamide

C27H36N2O4 — CID 46060301

IUPACN-(cyclopropylmethyl)-N-[[4-[2-hydroxy-3-(2-methylphenoxy)propyl]morpholin-2-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CC2CC2)CC2CN(CC(O)COc3ccccc3C)CCO2)cc1
InChIInChI=1S/C27H36N2O4/c1-20-7-11-23(12-8-20)27(31)29(15-22-9-10-22)18-25-17-28(13-14-32-25)16-24(30)19-33-26-6-4-3-5-21(26)2/h3-8,11-12,22,24-25,30H,9-10,13-19H2,1-2H3
InChIKeyNNKWSBDHSQDMEI-UHFFFAOYSA-N
MW452.60 g/mol
LogP3.30
Rot. Bonds10

About N-(cyclopropylmethyl)-N-[[4-[2-hydroxy-3-(2-methylphenoxy)propyl]morpholin-2-yl]methyl]-4-methylbenzamide

N-(cyclopropylmethyl)-N-[[4-[2-hydroxy-3-(2-methylphenoxy)propyl]morpholin-2-yl]methyl]-4-methylbenzamide (PubChem CID 46060301) has the molecular formula C27H36N2O4 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[4-[2-hydroxy-3-(2-methylphenoxy)propyl]morpholin-2-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[4-[2-hydroxy-3-(2-methylphenoxy)propyl]morpholin-2-yl]methyl]-4-methylbenzamide
PubChem CID46060301
Molecular FormulaC27H36N2O4
Molecular Weight452.60 g/mol
Exact Mass452.27
IUPAC NameN-(cyclopropylmethyl)-N-[[4-[2-hydroxy-3-(2-methylphenoxy)propyl]morpholin-2-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CC2CC2)CC2CN(CC(O)COc3ccccc3C)CCO2)cc1
InChIInChI=1S/C27H36N2O4/c1-20-7-11-23(12-8-20)27(31)29(15-22-9-10-22)18-25-17-28(13-14-32-25)16-24(30)19-33-26-6-4-3-5-21(26)2/h3-8,11-12,22,24-25,30H,9-10,13-19H2,1-2H3
InChIKeyNNKWSBDHSQDMEI-UHFFFAOYSA-N
XLogP3.30
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide
CID 98634563
N-(cyclopropylmethyl)-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862392
N-[[4-(2-hydroxy-3-phenoxypropyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862250
N-(cyclopropylmethyl)-4-fluoro-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]benzamide
CID 92989640
N-(cyclopropylmethyl)-N-[[(2S)-4-[(2R)-2-hydroxy-3-phenoxypropyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 92989665
N-[[4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 46060172
N-cyclopentyl-N-[[4-(2-hydroxy-3-phenylmethoxypropyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862417
N-(cyclopropylmethyl)-N-[[(2R)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 99731552
N-[[(2S)-4-[(2S)-2-hydroxy-3-methoxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984293
N-[[(2S)-4-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 92989608
N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42862249
N-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862421

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[4-[2-hydroxy-3-(2-methylphenoxy)propyl]morpholin-2-yl]methyl]-4-methylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[[4-[2-hydroxy-3-(2-methylphenoxy)propyl]morpholin-2-yl]methyl]-4-methylbenzamide (CID 46060301) is N-(cyclopropylmethyl)-N-[[4-[2-hydroxy-3-(2-methylphenoxy)propyl]morpholin-2-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[4-[2-hydroxy-3-(2-methylphenoxy)propyl]morpholin-2-yl]methyl]-4-methylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[4-[2-hydroxy-3-(2-methylphenoxy)propyl]morpholin-2-yl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)N(CC2CC2)CC2CN(CC(O)COc3ccccc3C)CCO2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[4-[2-hydroxy-3-(2-methylphenoxy)propyl]morpholin-2-yl]methyl]-4-methylbenzamide?
The InChIKey is NNKWSBDHSQDMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O4/c1-20-7-11-23(12-8-20)27(31)29(15-22-9-10-22)18-25-17-28(13-14-32-25)16-24(30)19-33-26-6-4-3-5-21(26)2/h3-8,11-12,22,24-25,30H,9-10,13-19H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[4-[2-hydroxy-3-(2-methylphenoxy)propyl]morpholin-2-yl]methyl]-4-methylbenzamide?
N-(cyclopropylmethyl)-N-[[4-[2-hydroxy-3-(2-methylphenoxy)propyl]morpholin-2-yl]methyl]-4-methylbenzamide has a molecular weight of 452.60 g/mol, XLogP of 3.30, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[4-[2-hydroxy-3-(2-methylphenoxy)propyl]morpholin-2-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 46060301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).