N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide

C18H22N2O2 — CID 112980466

IUPACN-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide
SMILESCCC(C)Nc1ccc(NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-4-13(2)19-15-7-9-16(10-8-15)20-18(21)14-5-11-17(22-3)12-6-14/h5-13,19H,4H2,1-3H3,(H,20,21)
InChIKeyNFPBWHNMHZQTHE-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.16
Rot. Bonds6

About N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide

N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide (PubChem CID 112980466) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide
PubChem CID112980466
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide
SMILESCCC(C)Nc1ccc(NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-4-13(2)19-15-7-9-16(10-8-15)20-18(21)14-5-11-17(22-3)12-6-14/h5-13,19H,4H2,1-3H3,(H,20,21)
InChIKeyNFPBWHNMHZQTHE-UHFFFAOYSA-N
XLogP4.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 42427383
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
N-[6-(butan-2-ylamino)pyridazin-3-yl]-4-methoxybenzamide
CID 113038582
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
N-[4-[1-(butan-2-ylcarbamoyl)cyclopropyl]phenyl]-4-methoxybenzamide
CID 50821478
N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide
CID 112980469
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
2-methylpropyl 4-[(4-methoxybenzoyl)amino]benzoate
CID 732519
N-[4-(butan-2-ylamino)phenyl]-3,4-difluorobenzamide
CID 112980494
4-[[(2R)-2-[4-[(4-methoxyphenyl)carbamoyl]anilino]propanoyl]amino]benzamide
CID 41190635

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide (CID 112980466) is N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide is CCC(C)Nc1ccc(NC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide?
The InChIKey is NFPBWHNMHZQTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-13(2)19-15-7-9-16(10-8-15)20-18(21)14-5-11-17(22-3)12-6-14/h5-13,19H,4H2,1-3H3,(H,20,21).
What are the key properties of N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide?
N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide has a molecular weight of 298.39 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylamino)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 112980466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).