N-[3-[[(1R)-4-hydroxy-1-phenylbutyl]amino]-3-oxopropyl]naphthalene-2-carboxamide

C24H26N2O3 — CID 97247817

IUPACN-[3-[[(1R)-4-hydroxy-1-phenylbutyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)N[C@H](CCCO)c1ccccc1
InChIInChI=1S/C24H26N2O3/c27-16-6-11-22(19-8-2-1-3-9-19)26-23(28)14-15-25-24(29)21-13-12-18-7-4-5-10-20(18)17-21/h1-5,7-10,12-13,17,22,27H,6,11,14-16H2,(H,25,29)(H,26,28)/t22-/m1/s1
InChIKeyRXDNIHBNRKJDOS-JOCHJYFZSA-N
MW390.48 g/mol
LogP3.59
Rot. Bonds9

About N-[3-[[(1R)-4-hydroxy-1-phenylbutyl]amino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[[(1R)-4-hydroxy-1-phenylbutyl]amino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 97247817) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[3-[[(1R)-4-hydroxy-1-phenylbutyl]amino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(1R)-4-hydroxy-1-phenylbutyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID97247817
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-[3-[[(1R)-4-hydroxy-1-phenylbutyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)N[C@H](CCCO)c1ccccc1
InChIInChI=1S/C24H26N2O3/c27-16-6-11-22(19-8-2-1-3-9-19)26-23(28)14-15-25-24(29)21-13-12-18-7-4-5-10-20(18)17-21/h1-5,7-10,12-13,17,22,27H,6,11,14-16H2,(H,25,29)(H,26,28)/t22-/m1/s1
InChIKeyRXDNIHBNRKJDOS-JOCHJYFZSA-N
XLogP3.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid
CID 119169798
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
N-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 43056250
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-[3-(1-methoxypropan-2-ylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 46573507
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid
CID 80538465
N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 119591532
N-(3-phenylsulfanylpropyl)naphthalene-2-carboxamide
CID 26352441
N-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide
CID 43021863
N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589785

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1R)-4-hydroxy-1-phenylbutyl]amino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[[(1R)-4-hydroxy-1-phenylbutyl]amino]-3-oxopropyl]naphthalene-2-carboxamide (CID 97247817) is N-[3-[[(1R)-4-hydroxy-1-phenylbutyl]amino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[[(1R)-4-hydroxy-1-phenylbutyl]amino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[[(1R)-4-hydroxy-1-phenylbutyl]amino]-3-oxopropyl]naphthalene-2-carboxamide is O=C(CCNC(=O)c1ccc2ccccc2c1)N[C@H](CCCO)c1ccccc1.
What is the InChIKey of N-[3-[[(1R)-4-hydroxy-1-phenylbutyl]amino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is RXDNIHBNRKJDOS-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H26N2O3/c27-16-6-11-22(19-8-2-1-3-9-19)26-23(28)14-15-25-24(29)21-13-12-18-7-4-5-10-20(18)17-21/h1-5,7-10,12-13,17,22,27H,6,11,14-16H2,(H,25,29)(H,26,28)/t22-/m1/s1.
What are the key properties of N-[3-[[(1R)-4-hydroxy-1-phenylbutyl]amino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[[(1R)-4-hydroxy-1-phenylbutyl]amino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 3.59, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1R)-4-hydroxy-1-phenylbutyl]amino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 97247817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).