2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride

C15H25ClN4O2 — CID 119721981

IUPAC2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NC(C)c1ccc(NC(N)=O)cc1.Cl
InChIInChI=1S/C15H24N4O2.ClH/c1-4-9(2)13(16)14(20)18-10(3)11-5-7-12(8-6-11)19-15(17)21;/h5-10,13H,4,16H2,1-3H3,(H,18,20)(H3,17,19,21);1H
InChIKeyYTNJCKVCLKZYGZ-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.15
Rot. Bonds6

About 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride

2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride (PubChem CID 119721981) has the molecular formula C15H25ClN4O2 and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride
PubChem CID119721981
Molecular FormulaC15H25ClN4O2
Molecular Weight328.84 g/mol
Exact Mass328.17
IUPAC Name2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NC(C)c1ccc(NC(N)=O)cc1.Cl
InChIInChI=1S/C15H24N4O2.ClH/c1-4-9(2)13(16)14(20)18-10(3)11-5-7-12(8-6-11)19-15(17)21;/h5-10,13H,4,16H2,1-3H3,(H,18,20)(H3,17,19,21);1H
InChIKeyYTNJCKVCLKZYGZ-UHFFFAOYSA-N
XLogP2.15
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylbutanamide
CID 43695581
(2R)-2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119288550
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119288546
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138
(2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide
CID 61174084
(2S,3S)-2-amino-3-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 61155475
2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 119815236
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide
CID 107903500
3-[4-[(2-amino-3-methylpentanoyl)amino]phenyl]butanoic acid
CID 104503054

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride (CID 119721981) is 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)NC(C)c1ccc(NC(N)=O)cc1.Cl.
What is the InChIKey of 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride?
The InChIKey is YTNJCKVCLKZYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2.ClH/c1-4-9(2)13(16)14(20)18-10(3)11-5-7-12(8-6-11)19-15(17)21;/h5-10,13H,4,16H2,1-3H3,(H,18,20)(H3,17,19,21);1H.
What are the key properties of 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.15, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119721981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).