N-[(3S)-1-[methyl(phenyl)carbamoyl]azepan-3-yl]morpholine-4-carboxamide

C19H28N4O3 — CID 96571011

IUPACN-[(3S)-1-[methyl(phenyl)carbamoyl]azepan-3-yl]morpholine-4-carboxamide
SMILESCN(C(=O)N1CCCC[C@H](NC(=O)N2CCOCC2)C1)c1ccccc1
InChIInChI=1S/C19H28N4O3/c1-21(17-8-3-2-4-9-17)19(25)23-10-6-5-7-16(15-23)20-18(24)22-11-13-26-14-12-22/h2-4,8-9,16H,5-7,10-15H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyMMWZFTWFFCIKSG-INIZCTEOSA-N
MW360.46 g/mol
LogP2.14
Rot. Bonds2

About N-[(3S)-1-[methyl(phenyl)carbamoyl]azepan-3-yl]morpholine-4-carboxamide

N-[(3S)-1-[methyl(phenyl)carbamoyl]azepan-3-yl]morpholine-4-carboxamide (PubChem CID 96571011) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(3S)-1-[methyl(phenyl)carbamoyl]azepan-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[methyl(phenyl)carbamoyl]azepan-3-yl]morpholine-4-carboxamide
PubChem CID96571011
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-[(3S)-1-[methyl(phenyl)carbamoyl]azepan-3-yl]morpholine-4-carboxamide
SMILESCN(C(=O)N1CCCC[C@H](NC(=O)N2CCOCC2)C1)c1ccccc1
InChIInChI=1S/C19H28N4O3/c1-21(17-8-3-2-4-9-17)19(25)23-10-6-5-7-16(15-23)20-18(24)22-11-13-26-14-12-22/h2-4,8-9,16H,5-7,10-15H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyMMWZFTWFFCIKSG-INIZCTEOSA-N
XLogP2.14
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 108990934
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CID 54133936
N-cyclohexyl-3-(N-methylanilino)azetidine-1-carboxamide
CID 23139887
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812
N-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide
CID 15636959
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]morpholine-4-carboxamide
CID 175649113
N-[3-(morpholine-4-carbonylamino)cyclohexyl]morpholine-4-carboxamide
CID 171722453
N-cyclopropyl-1,4-oxazepane-4-carboxamide
CID 115597922
N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4-oxazepane-4-carboxamide
CID 146087642
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]morpholine-4-carboxamide
CID 110871493
1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid
CID 28513181
N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide
CID 95567400

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[methyl(phenyl)carbamoyl]azepan-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(3S)-1-[methyl(phenyl)carbamoyl]azepan-3-yl]morpholine-4-carboxamide (CID 96571011) is N-[(3S)-1-[methyl(phenyl)carbamoyl]azepan-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-[methyl(phenyl)carbamoyl]azepan-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(3S)-1-[methyl(phenyl)carbamoyl]azepan-3-yl]morpholine-4-carboxamide is CN(C(=O)N1CCCC[C@H](NC(=O)N2CCOCC2)C1)c1ccccc1.
What is the InChIKey of N-[(3S)-1-[methyl(phenyl)carbamoyl]azepan-3-yl]morpholine-4-carboxamide?
The InChIKey is MMWZFTWFFCIKSG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-21(17-8-3-2-4-9-17)19(25)23-10-6-5-7-16(15-23)20-18(24)22-11-13-26-14-12-22/h2-4,8-9,16H,5-7,10-15H2,1H3,(H,20,24)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-[methyl(phenyl)carbamoyl]azepan-3-yl]morpholine-4-carboxamide?
N-[(3S)-1-[methyl(phenyl)carbamoyl]azepan-3-yl]morpholine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[methyl(phenyl)carbamoyl]azepan-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 96571011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).