2-methyl-N-[(2S)-3-methyl-1-[[(1S)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]benzamide

C25H28N2O2 — CID 34763220

IUPAC2-methyl-N-[(2S)-3-methyl-1-[[(1S)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]benzamide
SMILESCc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C25H28N2O2/c1-16(2)23(27-24(28)22-12-8-5-9-17(22)3)25(29)26-18(4)20-14-13-19-10-6-7-11-21(19)15-20/h5-16,18,23H,1-4H3,(H,26,29)(H,27,28)/t18-,23-/m0/s1
InChIKeyKPZPTUCRMSFCRI-MBSDFSHPSA-N
MW388.51 g/mol
LogP4.78
Rot. Bonds6

About 2-methyl-N-[(2S)-3-methyl-1-[[(1S)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]benzamide

2-methyl-N-[(2S)-3-methyl-1-[[(1S)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]benzamide (PubChem CID 34763220) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-3-methyl-1-[[(1S)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-3-methyl-1-[[(1S)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]benzamide
PubChem CID34763220
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name2-methyl-N-[(2S)-3-methyl-1-[[(1S)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]benzamide
SMILESCc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C25H28N2O2/c1-16(2)23(27-24(28)22-12-8-5-9-17(22)3)25(29)26-18(4)20-14-13-19-10-6-7-11-21(19)15-20/h5-16,18,23H,1-4H3,(H,26,29)(H,27,28)/t18-,23-/m0/s1
InChIKeyKPZPTUCRMSFCRI-MBSDFSHPSA-N
XLogP4.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[3-methyl-1-(1-naphthalen-2-ylethylamino)-1-oxobutan-2-yl]benzamide
CID 43011329
2-methyl-N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 9138694
2-(carbamoylamino)-3-methyl-N-(1-naphthalen-2-ylethyl)butanamide
CID 78776331
N-[1-[1-(3,4-diethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 43011675
2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide
CID 43011349
N-[(2S)-1-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51709372
2-chloro-N-[3-methyl-1-(1-naphthalen-2-ylethylamino)-1-oxobutan-2-yl]-4-nitrobenzamide
CID 112762265
tert-butyl N-[(2S)-3-methyl-1-[[(1R)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]carbamate
CID 15300663
N-[(2S)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51937950
2-chloro-N-(1-naphthalen-2-ylethyl)benzamide
CID 2950656
(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoic acid
CID 2393671
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-3-methyl-1-[[(1S)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[(2S)-3-methyl-1-[[(1S)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]benzamide (CID 34763220) is 2-methyl-N-[(2S)-3-methyl-1-[[(1S)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[(2S)-3-methyl-1-[[(1S)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[(2S)-3-methyl-1-[[(1S)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]benzamide is Cc1ccccc1C(=O)N[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)C(C)C.
What is the InChIKey of 2-methyl-N-[(2S)-3-methyl-1-[[(1S)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]benzamide?
The InChIKey is KPZPTUCRMSFCRI-MBSDFSHPSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-16(2)23(27-24(28)22-12-8-5-9-17(22)3)25(29)26-18(4)20-14-13-19-10-6-7-11-21(19)15-20/h5-16,18,23H,1-4H3,(H,26,29)(H,27,28)/t18-,23-/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-3-methyl-1-[[(1S)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]benzamide?
2-methyl-N-[(2S)-3-methyl-1-[[(1S)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]benzamide has a molecular weight of 388.51 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-3-methyl-1-[[(1S)-1-naphthalen-2-ylethyl]amino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 34763220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).