N-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride

C15H24ClN3O2 — CID 119706304

IUPACN-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCc1cccc(NC(C)=O)c1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-4-10(2)14(16)15(20)17-9-12-6-5-7-13(8-12)18-11(3)19;/h5-8,10,14H,4,9,16H2,1-3H3,(H,17,20)(H,18,19);1H
InChIKeyDKCLDPXUIJVUAF-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.06
Rot. Bonds6

About N-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride

N-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride (PubChem CID 119706304) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride
PubChem CID119706304
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC NameN-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCc1cccc(NC(C)=O)c1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-4-10(2)14(16)15(20)17-9-12-6-5-7-13(8-12)18-11(3)19;/h5-8,10,14H,4,9,16H2,1-3H3,(H,17,20)(H,18,19);1H
InChIKeyDKCLDPXUIJVUAF-UHFFFAOYSA-N
XLogP2.06
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119741621
2-amino-N-[(3-chlorophenyl)methyl]-3-methylpentanamide
CID 43515242
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylbutanamide;hydrochloride
CID 119285748
3-[[[(2S,3S)-2-amino-3-methylpentanoyl]amino]methyl]benzoic acid
CID 61161892
2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide
CID 119753959
3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide
CID 119719976
2-amino-N-[[3-(difluoromethoxy)phenyl]methyl]-3-methylpentanamide
CID 119763023
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide
CID 69170793
2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide
CID 52845726
2-amino-3-methyl-N-(naphthalen-1-ylmethyl)pentanamide;hydrochloride
CID 119709573
(2S,3S)-2-amino-3-methyl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pentanamide;hydrochloride
CID 154902918
2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119669753

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride (CID 119706304) is N-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)NCc1cccc(NC(C)=O)c1.Cl.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride?
The InChIKey is DKCLDPXUIJVUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-4-10(2)14(16)15(20)17-9-12-6-5-7-13(8-12)18-11(3)19;/h5-8,10,14H,4,9,16H2,1-3H3,(H,17,20)(H,18,19);1H.
What are the key properties of N-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride?
N-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-2-amino-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119706304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).