3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride

C11H17ClN4O2 — CID 119701459

IUPAC3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1ccc(NC(N)=O)cc1.Cl
InChIInChI=1S/C11H16N4O2.ClH/c1-7(12)6-10(16)14-8-2-4-9(5-3-8)15-11(13)17;/h2-5,7H,6,12H2,1H3,(H,14,16)(H3,13,15,17);1H
InChIKeyMRVAMTNDKYDCRU-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.27
Rot. Bonds4

About 3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride

3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride (PubChem CID 119701459) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
PubChem CID119701459
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1ccc(NC(N)=O)cc1.Cl
InChIInChI=1S/C11H16N4O2.ClH/c1-7(12)6-10(16)14-8-2-4-9(5-3-8)15-11(13)17;/h2-5,7H,6,12H2,1H3,(H,14,16)(H3,13,15,17);1H
InChIKeyMRVAMTNDKYDCRU-UHFFFAOYSA-N
XLogP1.27
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119702026
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
N-[4-(3-aminobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 61254421
3-amino-N-(4-phenylphenyl)butanamide
CID 60835996
5-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 82848160
3-amino-N-[4-(methanesulfonamido)phenyl]butanamide
CID 60836339
3-amino-N-[4-(sulfamoylmethyl)phenyl]butanamide;hydrochloride
CID 119701893
4-(3-aminobutanoylamino)-N-ethylbenzamide;hydrochloride
CID 119714141
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride
CID 119733597
3-amino-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]butanamide
CID 119713096
3-amino-N-[4-(2-methylsulfanylethyl)phenyl]butanamide;hydrochloride
CID 119769613
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]butanamide
CID 54924467

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride (CID 119701459) is 3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride is CC(N)CC(=O)Nc1ccc(NC(N)=O)cc1.Cl.
What is the InChIKey of 3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride?
The InChIKey is MRVAMTNDKYDCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2.ClH/c1-7(12)6-10(16)14-8-2-4-9(5-3-8)15-11(13)17;/h2-5,7H,6,12H2,1H3,(H,14,16)(H3,13,15,17);1H.
What are the key properties of 3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride?
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride has a molecular weight of 272.74 g/mol, XLogP of 1.27, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119701459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).