1-[(Z)-N'-hydroxycarbamimidoyl]-N-[4-(9-phenylnonyl)phenyl]cyclopropane-1-carboxamide

C26H35N3O2 — CID 88866439

IUPAC1-[(Z)-N'-hydroxycarbamimidoyl]-N-[4-(9-phenylnonyl)phenyl]cyclopropane-1-carboxamide
SMILESN/C(=N\O)C1(C(=O)Nc2ccc(CCCCCCCCCc3ccccc3)cc2)CC1
InChIInChI=1S/C26H35N3O2/c27-24(29-31)26(19-20-26)25(30)28-23-17-15-22(16-18-23)14-8-5-3-1-2-4-7-11-21-12-9-6-10-13-21/h6,9-10,12-13,15-18,31H,1-5,7-8,11,14,19-20H2,(H2,27,29)(H,28,30)
InChIKeyHQOLVKWGHWVWRE-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.67
Rot. Bonds13

About 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[4-(9-phenylnonyl)phenyl]cyclopropane-1-carboxamide

1-[(Z)-N'-hydroxycarbamimidoyl]-N-[4-(9-phenylnonyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 88866439) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[4-(9-phenylnonyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(Z)-N'-hydroxycarbamimidoyl]-N-[4-(9-phenylnonyl)phenyl]cyclopropane-1-carboxamide
PubChem CID88866439
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name1-[(Z)-N'-hydroxycarbamimidoyl]-N-[4-(9-phenylnonyl)phenyl]cyclopropane-1-carboxamide
SMILESN/C(=N\O)C1(C(=O)Nc2ccc(CCCCCCCCCc3ccccc3)cc2)CC1
InChIInChI=1S/C26H35N3O2/c27-24(29-31)26(19-20-26)25(30)28-23-17-15-22(16-18-23)14-8-5-3-1-2-4-7-11-21-12-9-6-10-13-21/h6,9-10,12-13,15-18,31H,1-5,7-8,11,14,19-20H2,(H2,27,29)(H,28,30)
InChIKeyHQOLVKWGHWVWRE-UHFFFAOYSA-N
XLogP5.67
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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N,N'-bis(4-carbamimidoylphenyl)octanediamide
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N,N'-4,4'-biphenyldiyldibutanamide
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2-[[amino(phenyl)methylidene]amino]oxy-N-(4-tert-butylphenyl)acetamide
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CID 673332
N,N'-bis(4-carbamimidoylphenyl)hexanediamide
CID 3010935
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-phenylbutanamide
CID 11221089
N-hydroxy-3-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 11277927
N,N'-bis(4-carbamimidoylphenyl)heptanediamide
CID 44610719
N-[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]-7-phenylheptanamide
CID 124087050

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[4-(9-phenylnonyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[4-(9-phenylnonyl)phenyl]cyclopropane-1-carboxamide (CID 88866439) is 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[4-(9-phenylnonyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[4-(9-phenylnonyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[4-(9-phenylnonyl)phenyl]cyclopropane-1-carboxamide is N/C(=N\O)C1(C(=O)Nc2ccc(CCCCCCCCCc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[4-(9-phenylnonyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is HQOLVKWGHWVWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c27-24(29-31)26(19-20-26)25(30)28-23-17-15-22(16-18-23)14-8-5-3-1-2-4-7-11-21-12-9-6-10-13-21/h6,9-10,12-13,15-18,31H,1-5,7-8,11,14,19-20H2,(H2,27,29)(H,28,30).
What are the key properties of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[4-(9-phenylnonyl)phenyl]cyclopropane-1-carboxamide?
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[4-(9-phenylnonyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 421.59 g/mol, XLogP of 5.67, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[4-(9-phenylnonyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 88866439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).