N-[2-methoxy-5-[[(3S)-2-oxoazepan-3-yl]amino]phenyl]acetamide

C15H21N3O3 — CID 37305986

IUPACN-[2-methoxy-5-[[(3S)-2-oxoazepan-3-yl]amino]phenyl]acetamide
SMILESCOc1ccc(N[C@H]2CCCCNC2=O)cc1NC(C)=O
InChIInChI=1S/C15H21N3O3/c1-10(19)17-13-9-11(6-7-14(13)21-2)18-12-5-3-4-8-16-15(12)20/h6-7,9,12,18H,3-5,8H2,1-2H3,(H,16,20)(H,17,19)/t12-/m0/s1
InChIKeyVGALDCHUEMZXER-LBPRGKRZSA-N
MW291.35 g/mol
LogP1.73
Rot. Bonds4

About N-[2-methoxy-5-[[(3S)-2-oxoazepan-3-yl]amino]phenyl]acetamide

N-[2-methoxy-5-[[(3S)-2-oxoazepan-3-yl]amino]phenyl]acetamide (PubChem CID 37305986) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-methoxy-5-[[(3S)-2-oxoazepan-3-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[[(3S)-2-oxoazepan-3-yl]amino]phenyl]acetamide
PubChem CID37305986
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[2-methoxy-5-[[(3S)-2-oxoazepan-3-yl]amino]phenyl]acetamide
SMILESCOc1ccc(N[C@H]2CCCCNC2=O)cc1NC(C)=O
InChIInChI=1S/C15H21N3O3/c1-10(19)17-13-9-11(6-7-14(13)21-2)18-12-5-3-4-8-16-15(12)20/h6-7,9,12,18H,3-5,8H2,1-2H3,(H,16,20)(H,17,19)/t12-/m0/s1
InChIKeyVGALDCHUEMZXER-LBPRGKRZSA-N
XLogP1.73
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-methyl-4-[[(3R)-2-oxoazepan-3-yl]amino]phenyl]acetamide
CID 25344003
N-[2-methoxy-5-(methylamino)phenyl]acetamide
CID 82649039
1-(5-methoxy-2-propan-2-yloxyphenyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 95614995
N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 4120812
(3R)-N-(2,5-dimethoxyphenyl)-2-oxopiperidine-3-carboxamide
CID 807343
1-[2-methyl-5-[[(3R)-2-oxoazepan-3-yl]carbamoylamino]phenyl]-3-[(3S)-2-oxoazepan-3-yl]urea
CID 51961629
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
CID 81119809
(2S)-N-(4-acetamido-3-methoxyphenyl)piperidine-2-carboxamide
CID 103808843
1-[(2,5-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 71935595
N-(3-acetamido-4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119278933
N-(5-acetamido-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987888
2-[(3-methyl-1,2-thiazol-5-yl)amino]-4-[[(3S)-2-oxoazepan-3-yl]amino]benzamide
CID 129386817

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[[(3S)-2-oxoazepan-3-yl]amino]phenyl]acetamide?
The IUPAC name of N-[2-methoxy-5-[[(3S)-2-oxoazepan-3-yl]amino]phenyl]acetamide (CID 37305986) is N-[2-methoxy-5-[[(3S)-2-oxoazepan-3-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[2-methoxy-5-[[(3S)-2-oxoazepan-3-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[2-methoxy-5-[[(3S)-2-oxoazepan-3-yl]amino]phenyl]acetamide is COc1ccc(N[C@H]2CCCCNC2=O)cc1NC(C)=O.
What is the InChIKey of N-[2-methoxy-5-[[(3S)-2-oxoazepan-3-yl]amino]phenyl]acetamide?
The InChIKey is VGALDCHUEMZXER-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(19)17-13-9-11(6-7-14(13)21-2)18-12-5-3-4-8-16-15(12)20/h6-7,9,12,18H,3-5,8H2,1-2H3,(H,16,20)(H,17,19)/t12-/m0/s1.
What are the key properties of N-[2-methoxy-5-[[(3S)-2-oxoazepan-3-yl]amino]phenyl]acetamide?
N-[2-methoxy-5-[[(3S)-2-oxoazepan-3-yl]amino]phenyl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[[(3S)-2-oxoazepan-3-yl]amino]phenyl]acetamide is sourced from PubChem (CID 37305986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).