N-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]phenyl]cyclopropanecarboxamide

C14H18N4O — CID 165403886

IUPACN-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]phenyl]cyclopropanecarboxamide
SMILESNC(N)=C/C=C(\N)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C14H18N4O/c15-12(7-8-13(16)17)9-3-5-11(6-4-9)18-14(19)10-1-2-10/h3-8,10H,1-2,15-17H2,(H,18,19)/b12-7-
InChIKeyCXMSSCRHPAOUGY-GHXNOFRVSA-N
MW258.33 g/mol
LogP1.09
Rot. Bonds4

About N-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]phenyl]cyclopropanecarboxamide

N-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]phenyl]cyclopropanecarboxamide (PubChem CID 165403886) has the molecular formula C14H18N4O and a molecular weight of 258.33 g/mol. Its IUPAC name is N-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]phenyl]cyclopropanecarboxamide
PubChem CID165403886
Molecular FormulaC14H18N4O
Molecular Weight258.33 g/mol
Exact Mass258.15
IUPAC NameN-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]phenyl]cyclopropanecarboxamide
SMILESNC(N)=C/C=C(\N)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C14H18N4O/c15-12(7-8-13(16)17)9-3-5-11(6-4-9)18-14(19)10-1-2-10/h3-8,10H,1-2,15-17H2,(H,18,19)/b12-7-
InChIKeyCXMSSCRHPAOUGY-GHXNOFRVSA-N
XLogP1.09
TPSA107.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 6219246
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CID 25276011
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
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4-(carbamoylamino)-N-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 47069861
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
methyl 4-[(4-carbamoylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110754209
4-[(4-butylcyclohexanecarbonyl)amino]benzamide
CID 8884677
N-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 61252070

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]phenyl]cyclopropanecarboxamide (CID 165403886) is N-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]phenyl]cyclopropanecarboxamide is NC(N)=C/C=C(\N)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]phenyl]cyclopropanecarboxamide?
The InChIKey is CXMSSCRHPAOUGY-GHXNOFRVSA-N. The full InChI is InChI=1S/C14H18N4O/c15-12(7-8-13(16)17)9-3-5-11(6-4-9)18-14(19)10-1-2-10/h3-8,10H,1-2,15-17H2,(H,18,19)/b12-7-.
What are the key properties of N-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]phenyl]cyclopropanecarboxamide?
N-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]phenyl]cyclopropanecarboxamide has a molecular weight of 258.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 165403886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).