N-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride

C15H24ClN3O2 — CID 119301478

IUPACN-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
SMILESCC(C)CC(=O)Nc1cccc(CNC(=O)CCN)c1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-11(2)8-15(20)18-13-5-3-4-12(9-13)10-17-14(19)6-7-16;/h3-5,9,11H,6-8,10,16H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyWHTZCGKFUAMMFP-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.06
Rot. Bonds7

About N-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride

N-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride (PubChem CID 119301478) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
PubChem CID119301478
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC NameN-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
SMILESCC(C)CC(=O)Nc1cccc(CNC(=O)CCN)c1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-11(2)8-15(20)18-13-5-3-4-12(9-13)10-17-14(19)6-7-16;/h3-5,9,11H,6-8,10,16H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyWHTZCGKFUAMMFP-UHFFFAOYSA-N
XLogP2.06
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

Analyze N-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;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

N-[3-[(3-aminobutanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119745470
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]-3-methylbutanamide
CID 119745433
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133
1-amino-N-[[3-(3-methylbutanoylamino)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301492
N-[3-[[(2-amino-2-phenylpropanoyl)amino]methyl]phenyl]-3-methylbutanamide
CID 120589998
N-[3-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]-3-methylbutanamide;hydroiodide
CID 110918783
N-[3-[[[N-[(3-chlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-3-methylbutanamide
CID 111176712
3-methyl-N-[3-[[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]methyl]phenyl]butanamide
CID 111003001
3-methyl-N-[3-[[[N'-methyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]methyl]phenyl]butanamide
CID 111244021
N-[3-[[(2-methoxy-2-phenylacetyl)amino]methyl]phenyl]-3-methylbutanamide
CID 60589103
2-(aminomethyl)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 119745463
3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride
CID 138011978

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride?
The IUPAC name of N-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride (CID 119301478) is N-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride.
What is the SMILES notation for N-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride?
The canonical SMILES for N-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride is CC(C)CC(=O)Nc1cccc(CNC(=O)CCN)c1.Cl.
What is the InChIKey of N-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride?
The InChIKey is WHTZCGKFUAMMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-11(2)8-15(20)18-13-5-3-4-12(9-13)10-17-14(19)6-7-16;/h3-5,9,11H,6-8,10,16H2,1-2H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride?
N-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 2.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-aminopropanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119301478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).