(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide

C17H21NO — CID 58642005

IUPAC(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
SMILESCC(C)C[C@H](C)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H21NO/c1-12(2)10-13(3)17(19)18-16-9-8-14-6-4-5-7-15(14)11-16/h4-9,11-13H,10H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyNBIHQTGPVOQTPV-ZDUSSCGKSA-N
MW255.36 g/mol
LogP4.46
Rot. Bonds4

About (2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide

(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide (PubChem CID 58642005) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
PubChem CID58642005
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
SMILESCC(C)C[C@H](C)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C17H21NO/c1-12(2)10-13(3)17(19)18-16-9-8-14-6-4-5-7-15(14)11-16/h4-9,11-13H,10H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyNBIHQTGPVOQTPV-ZDUSSCGKSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-methyl-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 3024355
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
2-(1,3-dioxoisoindol-2-yl)-4-methyl-N-naphthalen-2-ylpentanamide
CID 4070544
(2R)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
CID 671224
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
benzyl N-[2-[[2-[[(2R)-4-methyl-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 129361447
2-(benzylamino)-N-naphthalen-2-ylpropanamide
CID 4870007
N-(2,6-dimethylheptan-4-yl)naphthalen-2-amine
CID 43680210
2,3,3-trifluoro-N-naphthalen-2-ylpropanamide
CID 175396381
2-methyl-3-[4-(2-methylpropanoylamino)naphthalen-2-yl]-N-naphthalen-2-ylpropanamide
CID 166890298
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide
CID 4637022

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide?
The IUPAC name of (2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide (CID 58642005) is (2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide.
What is the SMILES notation for (2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide?
The canonical SMILES for (2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide is CC(C)C[C@H](C)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of (2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide?
The InChIKey is NBIHQTGPVOQTPV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21NO/c1-12(2)10-13(3)17(19)18-16-9-8-14-6-4-5-7-15(14)11-16/h4-9,11-13H,10H2,1-3H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide?
(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide has a molecular weight of 255.36 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide is sourced from PubChem (CID 58642005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).