(2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide

C21H32N2O3 — CID 97003852

IUPAC(2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
SMILESC[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccccc1N1CCCCCC1
InChIInChI=1S/C21H32N2O3/c1-17(26-16-18-10-6-9-15-25-18)21(24)22-19-11-4-5-12-20(19)23-13-7-2-3-8-14-23/h4-5,11-12,17-18H,2-3,6-10,13-16H2,1H3,(H,22,24)/t17-,18+/m1/s1
InChIKeyBMSPFSCZPVWOJB-MSOLQXFVSA-N
MW360.50 g/mol
LogP3.98
Rot. Bonds6

About (2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide

(2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide (PubChem CID 97003852) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is (2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
PubChem CID97003852
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name(2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
SMILESC[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccccc1N1CCCCCC1
InChIInChI=1S/C21H32N2O3/c1-17(26-16-18-10-6-9-15-25-18)21(24)22-19-11-4-5-12-20(19)23-13-7-2-3-8-14-23/h4-5,11-12,17-18H,2-3,6-10,13-16H2,1H3,(H,22,24)/t17-,18+/m1/s1
InChIKeyBMSPFSCZPVWOJB-MSOLQXFVSA-N
XLogP3.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 95273188
N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48861457
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823133
(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823131
2-methoxy-N-(2-piperidin-1-ylphenyl)propanamide
CID 47300267
(2R)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]propan-1-one
CID 95176482
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide
CID 18070263
(2S)-N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 95271771
N-[2-(azepan-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 3226886
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95272601

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide?
The IUPAC name of (2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide (CID 97003852) is (2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide?
The canonical SMILES for (2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide is C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccccc1N1CCCCCC1.
What is the InChIKey of (2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide?
The InChIKey is BMSPFSCZPVWOJB-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-17(26-16-18-10-6-9-15-25-18)21(24)22-19-11-4-5-12-20(19)23-13-7-2-3-8-14-23/h4-5,11-12,17-18H,2-3,6-10,13-16H2,1H3,(H,22,24)/t17-,18+/m1/s1.
What are the key properties of (2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide?
(2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide has a molecular weight of 360.50 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide is sourced from PubChem (CID 97003852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).