3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride

C15H24ClN3O2 — CID 119701237

IUPAC3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCc1ccc(NC(=O)C(C)C)cc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-10(2)15(20)18-13-6-4-12(5-7-13)9-17-14(19)8-11(3)16;/h4-7,10-11H,8-9,16H2,1-3H3,(H,17,19)(H,18,20);1H
InChIKeyUCAQLKYGWAMLPO-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.06
Rot. Bonds6

About 3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride

3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride (PubChem CID 119701237) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
PubChem CID119701237
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)NCc1ccc(NC(=O)C(C)C)cc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-10(2)15(20)18-13-6-4-12(5-7-13)9-17-14(19)8-11(3)16;/h4-7,10-11H,8-9,16H2,1-3H3,(H,17,19)(H,18,20);1H
InChIKeyUCAQLKYGWAMLPO-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-[4-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277416
N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277407
2-amino-3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119277422
3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride
CID 119710882
3-amino-N-[(4-hydroxyphenyl)methyl]butanamide
CID 114332164
N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 18151252
3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62668740
5-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pentanamide
CID 107907654
2-methyl-3-[[4-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropanoic acid
CID 114897148
N-[4-[[[2-(5-amino-2-pyridinyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 120619642
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
2-methyl-N-[4-[[[2-(prop-2-ynylamino)acetyl]amino]methyl]phenyl]propanamide
CID 78915789

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride (CID 119701237) is 3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride is CC(N)CC(=O)NCc1ccc(NC(=O)C(C)C)cc1.Cl.
What is the InChIKey of 3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride?
The InChIKey is UCAQLKYGWAMLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-10(2)15(20)18-13-6-4-12(5-7-13)9-17-14(19)8-11(3)16;/h4-7,10-11H,8-9,16H2,1-3H3,(H,17,19)(H,18,20);1H.
What are the key properties of 3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride?
3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;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 3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119701237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).