N-[(Z,4Z)-2-amino-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]-4-(hydroxyamino)cyclohexane-1-carboxamide

C18H25N3O2 — CID 89073859

IUPACN-[(Z,4Z)-2-amino-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]-4-(hydroxyamino)cyclohexane-1-carboxamide
SMILESC=c1cccc/c1=C/C=C(\N)CNC(=O)C1CCC(NO)CC1
InChIInChI=1S/C18H25N3O2/c1-13-4-2-3-5-14(13)6-9-16(19)12-20-18(22)15-7-10-17(21-23)11-8-15/h2-6,9,15,17,21,23H,1,7-8,10-12,19H2,(H,20,22)/b14-6-,16-9-
InChIKeyCMUVWCGZXJEOSS-NKHIHYFESA-N
MW315.42 g/mol
LogP0.37
Rot. Bonds5

About N-[(Z,4Z)-2-amino-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]-4-(hydroxyamino)cyclohexane-1-carboxamide

N-[(Z,4Z)-2-amino-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]-4-(hydroxyamino)cyclohexane-1-carboxamide (PubChem CID 89073859) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(Z,4Z)-2-amino-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]-4-(hydroxyamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(Z,4Z)-2-amino-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]-4-(hydroxyamino)cyclohexane-1-carboxamide
PubChem CID89073859
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(Z,4Z)-2-amino-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]-4-(hydroxyamino)cyclohexane-1-carboxamide
SMILESC=c1cccc/c1=C/C=C(\N)CNC(=O)C1CCC(NO)CC1
InChIInChI=1S/C18H25N3O2/c1-13-4-2-3-5-14(13)6-9-16(19)12-20-18(22)15-7-10-17(21-23)11-8-15/h2-6,9,15,17,21,23H,1,7-8,10-12,19H2,(H,20,22)/b14-6-,16-9-
InChIKeyCMUVWCGZXJEOSS-NKHIHYFESA-N
XLogP0.37
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z,4Z)-2-amino-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]-4-(hydroxyamino)cyclohexane-1-carboxamide 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

4-amino-N-(4-propan-2-ylcyclohexa-2,4-dien-1-yl)cyclohexane-1-carboxamide
CID 70974460
4-(hydroxyamino)-N-[(2E,4Z)-7-oxoocta-2,4-dien-3-yl]cyclohexane-1-carboxamide
CID 89073698
4-amino-N-[(3Z,5E)-5-nitrosoocta-3,5,7-trienyl]cyclohexane-1-carboxamide
CID 89073701
4-amino-N-[(3Z,5Z)-5-ethylidenenona-1,3-dien-2-yl]cyclohexane-1-carboxamide
CID 89073783
4-amino-N-[(3E,5E)-6-methyldeca-1,3,5-trien-3-yl]cyclohexane-1-carboxamide
CID 89153819
4-amino-N-[(3E)-5-cyclopentylidenepenta-1,3-dien-3-yl]cyclohexane-1-carboxamide
CID 89214827
2-(cyclohexanecarbonylamino)-N-[(2Z,4E)-hepta-2,4-dien-4-yl]-N'-hydroxyoctanediamide
CID 142235737
4-amino-N-[(3Z)-10-methylidenecyclodeca-1,3-dien-1-yl]cyclohexane-1-carboxamide
CID 173489187
ethane;N-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-4-(prop-2-enoylamino)cyclohexane-1-carboxamide
CID 177358874
4-[[(2Z,4E)-2-amino-4-methylhexa-2,4-dienoyl]amino]-N,N-dimethylcyclohexane-1-carboxamide
CID 142213843
N-[(3E)-5-methylhexa-1,3,5-trien-3-yl]-4-(prop-2-enoylamino)cyclohexane-1-carboxamide
CID 177358875

Frequently Asked Questions

What is the IUPAC name of N-[(Z,4Z)-2-amino-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]-4-(hydroxyamino)cyclohexane-1-carboxamide?
The IUPAC name of N-[(Z,4Z)-2-amino-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]-4-(hydroxyamino)cyclohexane-1-carboxamide (CID 89073859) is N-[(Z,4Z)-2-amino-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]-4-(hydroxyamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(Z,4Z)-2-amino-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]-4-(hydroxyamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(Z,4Z)-2-amino-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]-4-(hydroxyamino)cyclohexane-1-carboxamide is C=c1cccc/c1=C/C=C(\N)CNC(=O)C1CCC(NO)CC1.
What is the InChIKey of N-[(Z,4Z)-2-amino-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]-4-(hydroxyamino)cyclohexane-1-carboxamide?
The InChIKey is CMUVWCGZXJEOSS-NKHIHYFESA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-4-2-3-5-14(13)6-9-16(19)12-20-18(22)15-7-10-17(21-23)11-8-15/h2-6,9,15,17,21,23H,1,7-8,10-12,19H2,(H,20,22)/b14-6-,16-9-.
What are the key properties of N-[(Z,4Z)-2-amino-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]-4-(hydroxyamino)cyclohexane-1-carboxamide?
N-[(Z,4Z)-2-amino-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]-4-(hydroxyamino)cyclohexane-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 0.37, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,4Z)-2-amino-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]-4-(hydroxyamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 89073859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).