4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride

C14H21ClN4O2 — CID 119278037

IUPAC4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride
SMILESC=CCNC(=O)Nc1ccc(NC(=O)CCCN)cc1.Cl
InChIInChI=1S/C14H20N4O2.ClH/c1-2-10-16-14(20)18-12-7-5-11(6-8-12)17-13(19)4-3-9-15;/h2,5-8H,1,3-4,9-10,15H2,(H,17,19)(H2,16,18,20);1H
InChIKeyOZLYYIMHQBFGJY-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.09
Rot. Bonds7

About 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride

4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride (PubChem CID 119278037) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride
PubChem CID119278037
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC Name4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride
SMILESC=CCNC(=O)Nc1ccc(NC(=O)CCCN)cc1.Cl
InChIInChI=1S/C14H20N4O2.ClH/c1-2-10-16-14(20)18-12-7-5-11(6-8-12)17-13(19)4-3-9-15;/h2,5-8H,1,3-4,9-10,15H2,(H,17,19)(H2,16,18,20);1H
InChIKeyOZLYYIMHQBFGJY-UHFFFAOYSA-N
XLogP2.09
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 119278038
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride
CID 120559670
4-amino-N-[4-(methylcarbamoylamino)phenyl]butanamide
CID 43710929
1-(4-aminophenyl)-3-prop-2-enylurea
CID 47002126
4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
CID 119296184
1-(4-hydroxyphenyl)-3-prop-2-enylurea
CID 67731511
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
4-amino-N-[4-(carbamoylamino)phenyl]butanamide
CID 43711123
3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 47146192
(2S)-2-amino-3,3-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride
CID 119702311
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
4-amino-N-(4-methylsulfanylphenyl)butanamide;hydrochloride
CID 119273782

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride (CID 119278037) is 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride is C=CCNC(=O)Nc1ccc(NC(=O)CCCN)cc1.Cl.
What is the InChIKey of 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride?
The InChIKey is OZLYYIMHQBFGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2.ClH/c1-2-10-16-14(20)18-12-7-5-11(6-8-12)17-13(19)4-3-9-15;/h2,5-8H,1,3-4,9-10,15H2,(H,17,19)(H2,16,18,20);1H.
What are the key properties of 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride?
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 2.09, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119278037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).