(2R)-2-benzamido-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-naphthalene-2-carboxamide

C33H37N3O3 — CID 58928015

IUPAC(2R)-2-benzamido-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESO=C(N[C@]1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)CCc2ccccc2C1)c1ccccc1
InChIInChI=1S/C33H37N3O3/c37-30(26-15-6-2-7-16-26)36-33(21-20-25-14-10-11-17-27(25)23-33)32(39)35-29(22-24-12-4-1-5-13-24)31(38)34-28-18-8-3-9-19-28/h1-2,4-7,10-17,28-29H,3,8-9,18-23H2,(H,34,38)(H,35,39)(H,36,37)/t29-,33+/m0/s1
InChIKeyCPOVANIYVXLIBV-RYCFQHDISA-N
MW523.68 g/mol
LogP4.52
Rot. Bonds8

About (2R)-2-benzamido-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-naphthalene-2-carboxamide

(2R)-2-benzamido-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-naphthalene-2-carboxamide (PubChem CID 58928015) has the molecular formula C33H37N3O3 and a molecular weight of 523.68 g/mol. Its IUPAC name is (2R)-2-benzamido-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-naphthalene-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-benzamido-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-naphthalene-2-carboxamide
PubChem CID58928015
Molecular FormulaC33H37N3O3
Molecular Weight523.68 g/mol
Exact Mass523.28
IUPAC Name(2R)-2-benzamido-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-naphthalene-2-carboxamide
SMILESO=C(N[C@]1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)CCc2ccccc2C1)c1ccccc1
InChIInChI=1S/C33H37N3O3/c37-30(26-15-6-2-7-16-26)36-33(21-20-25-14-10-11-17-27(25)23-33)32(39)35-29(22-24-12-4-1-5-13-24)31(38)34-28-18-8-3-9-19-28/h1-2,4-7,10-17,28-29H,3,8-9,18-23H2,(H,34,38)(H,35,39)(H,36,37)/t29-,33+/m0/s1
InChIKeyCPOVANIYVXLIBV-RYCFQHDISA-N
XLogP4.52
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.68
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(cyclohexa-1,3,4,5-tetraene-1-carbonylamino)-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 142256813
N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 30823870
benzyl N-[(2R)-5-benzoyl-2-[[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-1,3-dihydroinden-2-yl]carbamate
CID 46863644
N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
CID 3523242
N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 71902056
N-[1-oxo-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide
CID 4783472
5-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(propanoylamino)-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 59978131
N-[1-oxo-3-phenyl-1-(piperidin-3-ylamino)propan-2-yl]benzamide;hydrochloride
CID 119424821
(4R)-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-phenyl-5H-1,3-oxazole-4-carboxamide
CID 10550753
N-cyclopropyl-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-3-phenylpropanamide
CID 111332048
N-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 126009171
N-[1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46540029

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzamido-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-naphthalene-2-carboxamide?
The IUPAC name of (2R)-2-benzamido-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-naphthalene-2-carboxamide (CID 58928015) is (2R)-2-benzamido-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-naphthalene-2-carboxamide.
What is the SMILES notation for (2R)-2-benzamido-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-naphthalene-2-carboxamide?
The canonical SMILES for (2R)-2-benzamido-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-naphthalene-2-carboxamide is O=C(N[C@]1(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCCCC2)CCc2ccccc2C1)c1ccccc1.
What is the InChIKey of (2R)-2-benzamido-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-naphthalene-2-carboxamide?
The InChIKey is CPOVANIYVXLIBV-RYCFQHDISA-N. The full InChI is InChI=1S/C33H37N3O3/c37-30(26-15-6-2-7-16-26)36-33(21-20-25-14-10-11-17-27(25)23-33)32(39)35-29(22-24-12-4-1-5-13-24)31(38)34-28-18-8-3-9-19-28/h1-2,4-7,10-17,28-29H,3,8-9,18-23H2,(H,34,38)(H,35,39)(H,36,37)/t29-,33+/m0/s1.
What are the key properties of (2R)-2-benzamido-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-naphthalene-2-carboxamide?
(2R)-2-benzamido-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-naphthalene-2-carboxamide has a molecular weight of 523.68 g/mol, XLogP of 4.52, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzamido-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-naphthalene-2-carboxamide is sourced from PubChem (CID 58928015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).