N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride

C15H25ClN4O2 — CID 119495043

IUPACN-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
SMILESCc1ccccc1C(CC(=O)NCCC(C)N)NC(N)=O.Cl
InChIInChI=1S/C15H24N4O2.ClH/c1-10-5-3-4-6-12(10)13(19-15(17)21)9-14(20)18-8-7-11(2)16;/h3-6,11,13H,7-9,16H2,1-2H3,(H,18,20)(H3,17,19,21);1H
InChIKeyRAHRXGCKJNOJOC-UHFFFAOYSA-N
MW328.84 g/mol
LogP1.37
Rot. Bonds7

About N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride

N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride (PubChem CID 119495043) has the molecular formula C15H25ClN4O2 and a molecular weight of 328.84 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
PubChem CID119495043
Molecular FormulaC15H25ClN4O2
Molecular Weight328.84 g/mol
Exact Mass328.17
IUPAC NameN-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
SMILESCc1ccccc1C(CC(=O)NCCC(C)N)NC(N)=O.Cl
InChIInChI=1S/C15H24N4O2.ClH/c1-10-5-3-4-6-12(10)13(19-15(17)21)9-14(20)18-8-7-11(2)16;/h3-6,11,13H,7-9,16H2,1-2H3,(H,18,20)(H3,17,19,21);1H
InChIKeyRAHRXGCKJNOJOC-UHFFFAOYSA-N
XLogP1.37
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]amino]butanoic acid
CID 119352945
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119525416
N-(2-amino-2-methylpropyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide
CID 119625989
N-(1-amino-4-methylpentan-2-yl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119585603
3-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]-3-(2-methylphenyl)propanamide
CID 119619279
2-[[[3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]amino]methyl]-4-methylpentanoic acid
CID 122126211
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(carbamoylamino)-3-(2-methylphenyl)propanamide
CID 86925589
N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide
CID 111433573
3-(carbamoylamino)-N-[1-(5-methylfuran-2-yl)ethyl]-3-(2-methylphenyl)propanamide
CID 86980661
N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119495811
3-(carbamoylamino)-3-(2-methylphenyl)-N-(9H-xanthen-9-yl)propanamide
CID 56547355
N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide
CID 119499708

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride (CID 119495043) is N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride is Cc1ccccc1C(CC(=O)NCCC(C)N)NC(N)=O.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride?
The InChIKey is RAHRXGCKJNOJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2.ClH/c1-10-5-3-4-6-12(10)13(19-15(17)21)9-14(20)18-8-7-11(2)16;/h3-6,11,13H,7-9,16H2,1-2H3,(H,18,20)(H3,17,19,21);1H.
What are the key properties of N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride?
N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 1.37, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(carbamoylamino)-3-(2-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119495043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).