N-[4-methyl-1-oxo-1-(2-phenoxyanilino)pentan-2-yl]naphthalene-1-carboxamide

C29H28N2O3 — CID 169183122

IUPACN-[4-methyl-1-oxo-1-(2-phenoxyanilino)pentan-2-yl]naphthalene-1-carboxamide
SMILESCC(C)CC(NC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C29H28N2O3/c1-20(2)19-26(31-28(32)24-16-10-12-21-11-6-7-15-23(21)24)29(33)30-25-17-8-9-18-27(25)34-22-13-4-3-5-14-22/h3-18,20,26H,19H2,1-2H3,(H,30,33)(H,31,32)
InChIKeyIDCRVUQHOBTUPE-UHFFFAOYSA-N
MW452.55 g/mol
LogP6.42
Rot. Bonds8

About N-[4-methyl-1-oxo-1-(2-phenoxyanilino)pentan-2-yl]naphthalene-1-carboxamide

N-[4-methyl-1-oxo-1-(2-phenoxyanilino)pentan-2-yl]naphthalene-1-carboxamide (PubChem CID 169183122) has the molecular formula C29H28N2O3 and a molecular weight of 452.55 g/mol. Its IUPAC name is N-[4-methyl-1-oxo-1-(2-phenoxyanilino)pentan-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-1-oxo-1-(2-phenoxyanilino)pentan-2-yl]naphthalene-1-carboxamide
PubChem CID169183122
Molecular FormulaC29H28N2O3
Molecular Weight452.55 g/mol
Exact Mass452.21
IUPAC NameN-[4-methyl-1-oxo-1-(2-phenoxyanilino)pentan-2-yl]naphthalene-1-carboxamide
SMILESCC(C)CC(NC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C29H28N2O3/c1-20(2)19-26(31-28(32)24-16-10-12-21-11-6-7-15-23(21)24)29(33)30-25-17-8-9-18-27(25)34-22-13-4-3-5-14-22/h3-18,20,26H,19H2,1-2H3,(H,30,33)(H,31,32)
InChIKeyIDCRVUQHOBTUPE-UHFFFAOYSA-N
XLogP6.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-oxo-1-(2-phenoxyanilino)propan-2-yl]naphthalene-1-carboxamide
CID 169183052
N-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide
CID 169183116
N-[(2S)-4-methyl-1-[[(Z)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]amino]-1-oxopentan-2-yl]naphthalene-1-carboxamide
CID 101018812
4-amino-2-methyl-N-(2-phenoxyphenyl)butanamide
CID 80541383
N-methyl-2-phenoxyaniline;N-(2-oxoethyl)naphthalene-1-carboxamide
CID 176939045
3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid
CID 70817249
(2S)-2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide
CID 42093263
2-(4-methoxyphenoxy)-N-(2-phenoxyphenyl)propanamide
CID 18837904
N-(2-phenoxyphenyl)-2-phenylpropanamide
CID 2933761
2-[(2-phenoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 1251991
N-naphthalen-1-yl-2-phenoxypropanamide
CID 2794096
[(1R)-3-methyl-1-[[(2S)-2-(naphthalene-1-carbonylamino)-3-phenylpropanoyl]amino]butyl]boronic acid
CID 102483235

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-oxo-1-(2-phenoxyanilino)pentan-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-methyl-1-oxo-1-(2-phenoxyanilino)pentan-2-yl]naphthalene-1-carboxamide (CID 169183122) is N-[4-methyl-1-oxo-1-(2-phenoxyanilino)pentan-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-methyl-1-oxo-1-(2-phenoxyanilino)pentan-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-methyl-1-oxo-1-(2-phenoxyanilino)pentan-2-yl]naphthalene-1-carboxamide is CC(C)CC(NC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of N-[4-methyl-1-oxo-1-(2-phenoxyanilino)pentan-2-yl]naphthalene-1-carboxamide?
The InChIKey is IDCRVUQHOBTUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3/c1-20(2)19-26(31-28(32)24-16-10-12-21-11-6-7-15-23(21)24)29(33)30-25-17-8-9-18-27(25)34-22-13-4-3-5-14-22/h3-18,20,26H,19H2,1-2H3,(H,30,33)(H,31,32).
What are the key properties of N-[4-methyl-1-oxo-1-(2-phenoxyanilino)pentan-2-yl]naphthalene-1-carboxamide?
N-[4-methyl-1-oxo-1-(2-phenoxyanilino)pentan-2-yl]naphthalene-1-carboxamide has a molecular weight of 452.55 g/mol, XLogP of 6.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-oxo-1-(2-phenoxyanilino)pentan-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 169183122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).