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

C15H23ClN4O2 — CID 120559670

IUPAC4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride
SMILESC=CCNC(=O)Nc1ccc(NC(=O)CCC(C)N)cc1.Cl
InChIInChI=1S/C15H22N4O2.ClH/c1-3-10-17-15(21)19-13-7-5-12(6-8-13)18-14(20)9-4-11(2)16;/h3,5-8,11H,1,4,9-10,16H2,2H3,(H,18,20)(H2,17,19,21);1H
InChIKeyABFDLPKLCHSOIR-UHFFFAOYSA-N
MW326.83 g/mol
LogP2.48
Rot. Bonds7

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

4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride (PubChem CID 120559670) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride
PubChem CID120559670
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC Name4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride
SMILESC=CCNC(=O)Nc1ccc(NC(=O)CCC(C)N)cc1.Cl
InChIInChI=1S/C15H22N4O2.ClH/c1-3-10-17-15(21)19-13-7-5-12(6-8-13)18-14(20)9-4-11(2)16;/h3,5-8,11H,1,4,9-10,16H2,2H3,(H,18,20)(H2,17,19,21);1H
InChIKeyABFDLPKLCHSOIR-UHFFFAOYSA-N
XLogP2.48
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 52.48
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
3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 47146192
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide
CID 119278038
2-amino-3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride
CID 119702323
(2S)-2-amino-3,3-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride
CID 119702311
1-(4-aminophenyl)-3-prop-2-enylurea
CID 47002126
5-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 82848160
1-(4-hydroxyphenyl)-3-prop-2-enylurea
CID 67731511
ethyl 4-(prop-2-enylcarbamoylamino)benzoate
CID 47146341
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125
5-amino-N-(4-fluorophenyl)hexanamide
CID 82848209
3-[4-(prop-2-enylcarbamoylamino)phenyl]butanoic acid
CID 113420057

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride (CID 120559670) is 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride is C=CCNC(=O)Nc1ccc(NC(=O)CCC(C)N)cc1.Cl.
What is the InChIKey of 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride?
The InChIKey is ABFDLPKLCHSOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2.ClH/c1-3-10-17-15(21)19-13-7-5-12(6-8-13)18-14(20)9-4-11(2)16;/h3,5-8,11H,1,4,9-10,16H2,2H3,(H,18,20)(H2,17,19,21);1H.
What are the key properties of 4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride?
4-amino-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride has a molecular weight of 326.83 g/mol, XLogP of 2.48, 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]pentanamide;hydrochloride is sourced from PubChem (CID 120559670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).