(2R)-4-[3-(azepan-1-yl)propanoyl]-N-phenylmorpholine-2-carboxamide

C20H29N3O3 — CID 92633187

IUPAC(2R)-4-[3-(azepan-1-yl)propanoyl]-N-phenylmorpholine-2-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1CN(C(=O)CCN2CCCCCC2)CCO1
InChIInChI=1S/C20H29N3O3/c24-19(10-13-22-11-6-1-2-7-12-22)23-14-15-26-18(16-23)20(25)21-17-8-4-3-5-9-17/h3-5,8-9,18H,1-2,6-7,10-16H2,(H,21,25)/t18-/m1/s1
InChIKeyDJXNRFUGCGCZFB-GOSISDBHSA-N
MW359.47 g/mol
LogP2.12
Rot. Bonds5

About (2R)-4-[3-(azepan-1-yl)propanoyl]-N-phenylmorpholine-2-carboxamide

(2R)-4-[3-(azepan-1-yl)propanoyl]-N-phenylmorpholine-2-carboxamide (PubChem CID 92633187) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (2R)-4-[3-(azepan-1-yl)propanoyl]-N-phenylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[3-(azepan-1-yl)propanoyl]-N-phenylmorpholine-2-carboxamide
PubChem CID92633187
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(2R)-4-[3-(azepan-1-yl)propanoyl]-N-phenylmorpholine-2-carboxamide
SMILESO=C(Nc1ccccc1)[C@H]1CN(C(=O)CCN2CCCCCC2)CCO1
InChIInChI=1S/C20H29N3O3/c24-19(10-13-22-11-6-1-2-7-12-22)23-14-15-26-18(16-23)20(25)21-17-8-4-3-5-9-17/h3-5,8-9,18H,1-2,6-7,10-16H2,(H,21,25)/t18-/m1/s1
InChIKeyDJXNRFUGCGCZFB-GOSISDBHSA-N
XLogP2.12
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-phenylmorpholine-2-carboxamide
CID 20524995
(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-phenylmorpholine-2-carboxamide
CID 92633198
(2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide
CID 97041956
4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119239623
(2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid
CID 124703983
1-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 18131445
4-(3-morpholin-4-ylpropanoyl)-N-phenylpiperazine-1-carboxamide
CID 110422657
4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholine-2-carboxylic acid
CID 62636376
N-methyl-4-(2-phenylacetyl)morpholine-2-carboxamide
CID 110268197
(2R)-N-methyl-4-(2-phenylacetyl)morpholine-2-carboxamide
CID 95839396
N-phenyloxolane-2-carboxamide
CID 3453643
2-carbamothioyl-N-phenylmorpholine-4-carboxamide
CID 79675023

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[3-(azepan-1-yl)propanoyl]-N-phenylmorpholine-2-carboxamide?
The IUPAC name of (2R)-4-[3-(azepan-1-yl)propanoyl]-N-phenylmorpholine-2-carboxamide (CID 92633187) is (2R)-4-[3-(azepan-1-yl)propanoyl]-N-phenylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[3-(azepan-1-yl)propanoyl]-N-phenylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[3-(azepan-1-yl)propanoyl]-N-phenylmorpholine-2-carboxamide is O=C(Nc1ccccc1)[C@H]1CN(C(=O)CCN2CCCCCC2)CCO1.
What is the InChIKey of (2R)-4-[3-(azepan-1-yl)propanoyl]-N-phenylmorpholine-2-carboxamide?
The InChIKey is DJXNRFUGCGCZFB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29N3O3/c24-19(10-13-22-11-6-1-2-7-12-22)23-14-15-26-18(16-23)20(25)21-17-8-4-3-5-9-17/h3-5,8-9,18H,1-2,6-7,10-16H2,(H,21,25)/t18-/m1/s1.
What are the key properties of (2R)-4-[3-(azepan-1-yl)propanoyl]-N-phenylmorpholine-2-carboxamide?
(2R)-4-[3-(azepan-1-yl)propanoyl]-N-phenylmorpholine-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[3-(azepan-1-yl)propanoyl]-N-phenylmorpholine-2-carboxamide is sourced from PubChem (CID 92633187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).