N-[4-[[(Z)-N'-nitrocarbamimidoyl]amino]phenyl]cyclohexanecarboxamide

C14H19N5O3 — CID 136665437

IUPACN-[4-[[(Z)-N'-nitrocarbamimidoyl]amino]phenyl]cyclohexanecarboxamide
SMILESN/C(=N/[N+](=O)[O-])Nc1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C14H19N5O3/c15-14(18-19(21)22)17-12-8-6-11(7-9-12)16-13(20)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,16,20)(H3,15,17,18)
InChIKeyUHPSCWWYFLJPAO-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.12
Rot. Bonds4

About N-[4-[[(Z)-N'-nitrocarbamimidoyl]amino]phenyl]cyclohexanecarboxamide

N-[4-[[(Z)-N'-nitrocarbamimidoyl]amino]phenyl]cyclohexanecarboxamide (PubChem CID 136665437) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[4-[[(Z)-N'-nitrocarbamimidoyl]amino]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[[(Z)-N'-nitrocarbamimidoyl]amino]phenyl]cyclohexanecarboxamide
PubChem CID136665437
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC NameN-[4-[[(Z)-N'-nitrocarbamimidoyl]amino]phenyl]cyclohexanecarboxamide
SMILESN/C(=N/[N+](=O)[O-])Nc1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C14H19N5O3/c15-14(18-19(21)22)17-12-8-6-11(7-9-12)16-13(20)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,16,20)(H3,15,17,18)
InChIKeyUHPSCWWYFLJPAO-UHFFFAOYSA-N
XLogP2.12
TPSA122.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[[(Z)-N'-nitrocarbamimidoyl]amino]phenyl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
N-[(4-nitrophenyl)carbamothioyl]cyclohexanecarboxamide
CID 3335172
N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide
CID 112985012
N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
CID 113274667
4-amino-N-(4-nitrophenyl)cyclohexane-1-carboxamide
CID 60848648
propan-2-yl N-[4-[[(Z)-N'-nitrocarbamimidoyl]amino]phenyl]carbamate
CID 136827823
N-[(4-nitrophenyl)carbamothioyl]cyclopentanecarboxamide
CID 4924453
N-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide
CID 4114738
N-(4-ethyl-3-nitrophenyl)cyclopentanecarboxamide
CID 34655093

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(Z)-N'-nitrocarbamimidoyl]amino]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[[(Z)-N'-nitrocarbamimidoyl]amino]phenyl]cyclohexanecarboxamide (CID 136665437) is N-[4-[[(Z)-N'-nitrocarbamimidoyl]amino]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[[(Z)-N'-nitrocarbamimidoyl]amino]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[[(Z)-N'-nitrocarbamimidoyl]amino]phenyl]cyclohexanecarboxamide is N/C(=N/[N+](=O)[O-])Nc1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[4-[[(Z)-N'-nitrocarbamimidoyl]amino]phenyl]cyclohexanecarboxamide?
The InChIKey is UHPSCWWYFLJPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c15-14(18-19(21)22)17-12-8-6-11(7-9-12)16-13(20)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,16,20)(H3,15,17,18).
What are the key properties of N-[4-[[(Z)-N'-nitrocarbamimidoyl]amino]phenyl]cyclohexanecarboxamide?
N-[4-[[(Z)-N'-nitrocarbamimidoyl]amino]phenyl]cyclohexanecarboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(Z)-N'-nitrocarbamimidoyl]amino]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 136665437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).