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

C14H20N4O2 — CID 119278038

IUPAC4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)CCCN)cc1
InChIInChI=1S/C14H20N4O2/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)
InChIKeyQWOXHZLABPWGKU-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.67
Rot. Bonds7

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

4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide (PubChem CID 119278038) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
PubChem CID119278038
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)CCCN)cc1
InChIInChI=1S/C14H20N4O2/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)
InChIKeyQWOXHZLABPWGKU-UHFFFAOYSA-N
XLogP1.67
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.67
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;hydrochloride
CID 119278037
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
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
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
CID 119296184
(2S)-2-amino-3,3-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride
CID 119702311
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide?
The IUPAC name of 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide (CID 119278038) is 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide is C=CCNC(=O)Nc1ccc(NC(=O)CCCN)cc1.
What is the InChIKey of 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide?
The InChIKey is QWOXHZLABPWGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/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).
What are the key properties of 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide?
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide has a molecular weight of 276.34 g/mol, XLogP of 1.67, 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 is sourced from PubChem (CID 119278038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).