2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride

C18H24ClN3O2 — CID 119767808

IUPAC2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC(=O)Nc1cccc2ccccc12.Cl
InChIInChI=1S/C18H23N3O2.ClH/c1-3-12(2)17(19)18(23)20-11-16(22)21-15-10-6-8-13-7-4-5-9-14(13)15;/h4-10,12,17H,3,11,19H2,1-2H3,(H,20,23)(H,21,22);1H
InChIKeyNONDOQZMGZMEHI-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.69
Rot. Bonds6

About 2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride

2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride (PubChem CID 119767808) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride
PubChem CID119767808
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC(=O)Nc1cccc2ccccc12.Cl
InChIInChI=1S/C18H23N3O2.ClH/c1-3-12(2)17(19)18(23)20-11-16(22)21-15-10-6-8-13-7-4-5-9-14(13)15;/h4-10,12,17H,3,11,19H2,1-2H3,(H,20,23)(H,21,22);1H
InChIKeyNONDOQZMGZMEHI-UHFFFAOYSA-N
XLogP2.69
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride
CID 119709573
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368637
2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-methylpentanamide
CID 119762097
(2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide
CID 61180080
2-chloro-2-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 167890403
(2S,3S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-3-methylpentanamide
CID 157238222
2-amino-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791541
ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate
CID 129012663
2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 60593466
4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide
CID 120591295
(2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61173876
2-amino-3-methyl-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]pentanamide;hydrochloride
CID 119768018

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride (CID 119767808) is 2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride is CCC(C)C(N)C(=O)NCC(=O)Nc1cccc2ccccc12.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride?
The InChIKey is NONDOQZMGZMEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.ClH/c1-3-12(2)17(19)18(23)20-11-16(22)21-15-10-6-8-13-7-4-5-9-14(13)15;/h4-10,12,17H,3,11,19H2,1-2H3,(H,20,23)(H,21,22);1H.
What are the key properties of 2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride?
2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride has a molecular weight of 349.86 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119767808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).