(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide

C25H29N3O2 — CID 40710619

IUPAC(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C25H29N3O2/c1-16-9-7-10-17(2)24(16)28-23(29)15-26-25(30)19(4)27-18(3)21-14-8-12-20-11-5-6-13-22(20)21/h5-14,18-19,27H,15H2,1-4H3,(H,26,30)(H,28,29)/t18-,19-/m1/s1
InChIKeyRBLGVXLVTTYAOD-RTBURBONSA-N
MW403.53 g/mol
LogP4.25
Rot. Bonds7

About (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide

(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide (PubChem CID 40710619) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
PubChem CID40710619
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C25H29N3O2/c1-16-9-7-10-17(2)24(16)28-23(29)15-26-25(30)19(4)27-18(3)21-14-8-12-20-11-5-6-13-22(20)21/h5-14,18-19,27H,15H2,1-4H3,(H,26,30)(H,28,29)/t18-,19-/m1/s1
InChIKeyRBLGVXLVTTYAOD-RTBURBONSA-N
XLogP4.25
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396732
N-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide
CID 112811629
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propanamide
CID 40918629
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-3-methyl-1-phenylbutyl]amino]propanamide
CID 8646005
methyl N-[(2S)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]propanoyl]carbamate
CID 8695474
N-methyl-N-[(2-methylphenyl)methyl]-2-(1-naphthalen-1-ylethylamino)propanamide
CID 112811633
(2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119268629
4-[2-(1-naphthalen-1-ylethylamino)propanoylamino]benzamide
CID 86976453
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396682
(2S)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9129665
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)sulfanylpropanamide
CID 60561702
(2S)-N-(3,5-dimethoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
CID 40800165

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide?
The IUPAC name of (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide (CID 40710619) is (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide?
The canonical SMILES for (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide is Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide?
The InChIKey is RBLGVXLVTTYAOD-RTBURBONSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-16-9-7-10-17(2)24(16)28-23(29)15-26-25(30)19(4)27-18(3)21-14-8-12-20-11-5-6-13-22(20)21/h5-14,18-19,27H,15H2,1-4H3,(H,26,30)(H,28,29)/t18-,19-/m1/s1.
What are the key properties of (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide?
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide has a molecular weight of 403.53 g/mol, XLogP of 4.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide is sourced from PubChem (CID 40710619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).