2-(azepan-1-yl)-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]propanamide

C19H29N3O4 — CID 131889010

IUPAC2-(azepan-1-yl)-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]propanamide
SMILESCOCC(=O)Nc1ccc(NC(=O)C(C)N2CCCCCC2)cc1OC
InChIInChI=1S/C19H29N3O4/c1-14(22-10-6-4-5-7-11-22)19(24)20-15-8-9-16(17(12-15)26-3)21-18(23)13-25-2/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyBBDIMOWEGQOOET-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.48
Rot. Bonds7

About 2-(azepan-1-yl)-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]propanamide

2-(azepan-1-yl)-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]propanamide (PubChem CID 131889010) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]propanamide
PubChem CID131889010
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name2-(azepan-1-yl)-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]propanamide
SMILESCOCC(=O)Nc1ccc(NC(=O)C(C)N2CCCCCC2)cc1OC
InChIInChI=1S/C19H29N3O4/c1-14(22-10-6-4-5-7-11-22)19(24)20-15-8-9-16(17(12-15)26-3)21-18(23)13-25-2/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyBBDIMOWEGQOOET-UHFFFAOYSA-N
XLogP2.48
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(azocan-1-yl)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 9460496
2-methoxy-N-(2-methoxy-4-pyrrolidin-1-ylphenyl)acetamide
CID 168512322
(2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275552
1-benzyl-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]piperidine-2-carboxamide
CID 131910005
(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274960
N-[4-[(3-chloro-2-hydroxypropyl)amino]-2-methoxyphenyl]-2-methoxyacetamide
CID 168636880
2-(4-benzoylpiperidin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 51322952
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-piperidin-1-ylpropanamide
CID 22109568
N-(4-acetamido-3-methoxyphenyl)-2-methoxypropanamide
CID 47308212
2-methoxy-N-[2-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169370245
2-(4-benzhydrylpiperazin-1-yl)-N-(3,4-dimethoxyphenyl)propanamide
CID 55430572
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]propanamide?
The IUPAC name of 2-(azepan-1-yl)-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]propanamide (CID 131889010) is 2-(azepan-1-yl)-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]propanamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]propanamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]propanamide is COCC(=O)Nc1ccc(NC(=O)C(C)N2CCCCCC2)cc1OC.
What is the InChIKey of 2-(azepan-1-yl)-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]propanamide?
The InChIKey is BBDIMOWEGQOOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-14(22-10-6-4-5-7-11-22)19(24)20-15-8-9-16(17(12-15)26-3)21-18(23)13-25-2/h8-9,12,14H,4-7,10-11,13H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of 2-(azepan-1-yl)-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]propanamide?
2-(azepan-1-yl)-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]propanamide has a molecular weight of 363.46 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[3-methoxy-4-[(2-methoxyacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 131889010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).