N-[(2R)-5-amino-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopentan-2-yl]naphthalene-2-carboxamide

C25H28N4O3 — CID 86755737

IUPACN-[(2R)-5-amino-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopentan-2-yl]naphthalene-2-carboxamide
SMILESNCCC[C@@H](NC(=O)c1ccc2ccccc2c1)C(=O)NCc1ccc(CC(N)=O)cc1
InChIInChI=1S/C25H28N4O3/c26-13-3-6-22(25(32)28-16-18-9-7-17(8-10-18)14-23(27)30)29-24(31)21-12-11-19-4-1-2-5-20(19)15-21/h1-2,4-5,7-12,15,22H,3,6,13-14,16,26H2,(H2,27,30)(H,28,32)(H,29,31)/t22-/m1/s1
InChIKeyOKWBHOABCXAMIG-JOCHJYFZSA-N
MW432.52 g/mol
LogP2.02
Rot. Bonds10

About N-[(2R)-5-amino-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopentan-2-yl]naphthalene-2-carboxamide

N-[(2R)-5-amino-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopentan-2-yl]naphthalene-2-carboxamide (PubChem CID 86755737) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[(2R)-5-amino-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopentan-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-5-amino-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopentan-2-yl]naphthalene-2-carboxamide
PubChem CID86755737
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[(2R)-5-amino-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopentan-2-yl]naphthalene-2-carboxamide
SMILESNCCC[C@@H](NC(=O)c1ccc2ccccc2c1)C(=O)NCc1ccc(CC(N)=O)cc1
InChIInChI=1S/C25H28N4O3/c26-13-3-6-22(25(32)28-16-18-9-7-17(8-10-18)14-23(27)30)29-24(31)21-12-11-19-4-1-2-5-20(19)15-21/h1-2,4-5,7-12,15,22H,3,6,13-14,16,26H2,(H2,27,30)(H,28,32)(H,29,31)/t22-/m1/s1
InChIKeyOKWBHOABCXAMIG-JOCHJYFZSA-N
XLogP2.02
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-amino-1-[(4-chlorophenyl)methylamino]-1-oxohexan-2-yl]-4-phenylbenzamide
CID 118411664
N-(3-aminopropyl)naphthalene-2-carboxamide
CID 24691516
(4S)-5-(benzylamino)-4-[[4-[4-(naphthalen-2-ylmethoxy)phenyl]benzoyl]amino]-5-oxopentanoic acid
CID 68702730
N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-(naphthalen-1-ylmethylamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-4-fluorobenzamide
CID 11556145
1-N-(2-aminoethyl)-3-N-[(2S)-1-(benzylamino)-1-oxo-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexan-2-yl]benzene-1,3-dicarboxamide
CID 90195721
N-[1-[(4-fluorophenyl)methylamino]-6-hydroxy-1-oxohexan-2-yl]benzamide
CID 123995767
4-(2-ethylphenoxy)-2-(naphthalene-2-carbonylamino)butanoic acid
CID 143212332
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
methyl (2S)-4-methoxy-2-(naphthalene-2-carbonylamino)butanoate
CID 101108438
N-[(2S)-1-oxo-3-phenyl-1-(2H-triazol-4-ylmethylamino)propan-2-yl]naphthalene-2-carboxamide
CID 134943953
(2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid
CID 54513086
6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid
CID 154945512

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-amino-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopentan-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[(2R)-5-amino-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopentan-2-yl]naphthalene-2-carboxamide (CID 86755737) is N-[(2R)-5-amino-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopentan-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(2R)-5-amino-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopentan-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(2R)-5-amino-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopentan-2-yl]naphthalene-2-carboxamide is NCCC[C@@H](NC(=O)c1ccc2ccccc2c1)C(=O)NCc1ccc(CC(N)=O)cc1.
What is the InChIKey of N-[(2R)-5-amino-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopentan-2-yl]naphthalene-2-carboxamide?
The InChIKey is OKWBHOABCXAMIG-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H28N4O3/c26-13-3-6-22(25(32)28-16-18-9-7-17(8-10-18)14-23(27)30)29-24(31)21-12-11-19-4-1-2-5-20(19)15-21/h1-2,4-5,7-12,15,22H,3,6,13-14,16,26H2,(H2,27,30)(H,28,32)(H,29,31)/t22-/m1/s1.
What are the key properties of N-[(2R)-5-amino-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopentan-2-yl]naphthalene-2-carboxamide?
N-[(2R)-5-amino-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopentan-2-yl]naphthalene-2-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 2.02, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-amino-1-[[4-(2-amino-2-oxoethyl)phenyl]methylamino]-1-oxopentan-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 86755737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).