3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide

C25H29N3O3 — CID 42699212

IUPAC3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide
SMILESCCC(C)N(CCC(=O)Nc1ccc2ccccc2c1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C25H29N3O3/c1-4-18(2)28(25(30)27-21-11-13-23(31-3)14-12-21)16-15-24(29)26-22-10-9-19-7-5-6-8-20(19)17-22/h5-14,17-18H,4,15-16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyGYPNFWAHESUAJX-UHFFFAOYSA-N
MW419.53 g/mol
LogP5.51
Rot. Bonds8

About 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide

3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide (PubChem CID 42699212) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide
PubChem CID42699212
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide
SMILESCCC(C)N(CCC(=O)Nc1ccc2ccccc2c1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C25H29N3O3/c1-4-18(2)28(25(30)27-21-11-13-23(31-3)14-12-21)16-15-24(29)26-22-10-9-19-7-5-6-8-20(19)17-22/h5-14,17-18H,4,15-16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyGYPNFWAHESUAJX-UHFFFAOYSA-N
XLogP5.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide
CID 42699211
ethyl 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]propanoate
CID 42697968
N-butan-2-yl-2-chloro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide
CID 42699036
N-butan-2-yl-3-fluoro-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]benzamide
CID 42699050
3-[acetyl(butan-2-yl)amino]-N-(3-methoxyphenyl)propanamide
CID 113116238
(2R)-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]-N-naphthalen-2-ylpropanamide
CID 9027057
1-(2-aminoethyl)-3-(4-methoxyphenyl)-1-propan-2-ylurea
CID 55151509
2-(2,5-dimethoxyphenyl)-N-naphthalen-2-ylacetamide
CID 78804408
3-(ethylamino)-N-naphthalen-2-ylpropanamide
CID 62833227
3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide
CID 113116212
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide
CID 113116226

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide?
The IUPAC name of 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide (CID 42699212) is 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide is CCC(C)N(CCC(=O)Nc1ccc2ccccc2c1)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide?
The InChIKey is GYPNFWAHESUAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-4-18(2)28(25(30)27-21-11-13-23(31-3)14-12-21)16-15-24(29)26-22-10-9-19-7-5-6-8-20(19)17-22/h5-14,17-18H,4,15-16H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide?
3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide has a molecular weight of 419.53 g/mol, XLogP of 5.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl-[(4-methoxyphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 42699212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).