N-[1-[(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]naphthalene-1-carboxamide

C28H28N4O3 — CID 162645989

IUPACN-[1-[(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]naphthalene-1-carboxamide
SMILESCC(C)C(NC(=O)c1cccc2ccccc12)C(=O)NC(Cn1ccnc1)C(=O)c1ccccc1
InChIInChI=1S/C28H28N4O3/c1-19(2)25(31-27(34)23-14-8-12-20-9-6-7-13-22(20)23)28(35)30-24(17-32-16-15-29-18-32)26(33)21-10-4-3-5-11-21/h3-16,18-19,24-25H,17H2,1-2H3,(H,30,35)(H,31,34)
InChIKeyPSAUNDOUOWPCQV-UHFFFAOYSA-N
MW468.56 g/mol
LogP3.86
Rot. Bonds9

About N-[1-[(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]naphthalene-1-carboxamide

N-[1-[(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]naphthalene-1-carboxamide (PubChem CID 162645989) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-[1-[(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]naphthalene-1-carboxamide
PubChem CID162645989
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC NameN-[1-[(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]naphthalene-1-carboxamide
SMILESCC(C)C(NC(=O)c1cccc2ccccc12)C(=O)NC(Cn1ccnc1)C(=O)c1ccccc1
InChIInChI=1S/C28H28N4O3/c1-19(2)25(31-27(34)23-14-8-12-20-9-6-7-13-22(20)23)28(35)30-24(17-32-16-15-29-18-32)26(33)21-10-4-3-5-11-21/h3-16,18-19,24-25H,17H2,1-2H3,(H,30,35)(H,31,34)
InChIKeyPSAUNDOUOWPCQV-UHFFFAOYSA-N
XLogP3.86
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-imidazol-1-yl-2-[[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid
CID 67720610
N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55475580
N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51155778
(3S)-3-[[(2S)-2-[[(2S)-3-methyl-2-(naphthalene-1-carbonylamino)butanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
CID 59044000
2-fluoro-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422582
2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422583
N-[(2R)-1-imidazol-1-ylpropan-2-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 94173055
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 54958933
4-benzamido-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 94159344
methyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate
CID 134136445
N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide
CID 155511960
(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
CID 11637328

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[1-[(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]naphthalene-1-carboxamide (CID 162645989) is N-[1-[(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[1-[(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[1-[(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]naphthalene-1-carboxamide is CC(C)C(NC(=O)c1cccc2ccccc12)C(=O)NC(Cn1ccnc1)C(=O)c1ccccc1.
What is the InChIKey of N-[1-[(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]naphthalene-1-carboxamide?
The InChIKey is PSAUNDOUOWPCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-19(2)25(31-27(34)23-14-8-12-20-9-6-7-13-22(20)23)28(35)30-24(17-32-16-15-29-18-32)26(33)21-10-4-3-5-11-21/h3-16,18-19,24-25H,17H2,1-2H3,(H,30,35)(H,31,34).
What are the key properties of N-[1-[(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]naphthalene-1-carboxamide?
N-[1-[(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]naphthalene-1-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-imidazol-1-yl-1-oxo-1-phenylpropan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 162645989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).