N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(4-cyclohexyloxyphenyl)prop-2-enyl]cyclopentanecarboxamide

C22H34N4O2 — CID 155007816

IUPACN-[(Z)-3-amino-2-[amino(methyl)amino]-3-(4-cyclohexyloxyphenyl)prop-2-enyl]cyclopentanecarboxamide
SMILESCN(N)/C(CNC(=O)C1CCCC1)=C(\N)c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C22H34N4O2/c1-26(24)20(15-25-22(27)17-7-5-6-8-17)21(23)16-11-13-19(14-12-16)28-18-9-3-2-4-10-18/h11-14,17-18H,2-10,15,23-24H2,1H3,(H,25,27)/b21-20-
InChIKeyVIYSIJHBNDRQKT-MRCUWXFGSA-N
MW386.54 g/mol
LogP3.14
Rot. Bonds7

About N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(4-cyclohexyloxyphenyl)prop-2-enyl]cyclopentanecarboxamide

N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(4-cyclohexyloxyphenyl)prop-2-enyl]cyclopentanecarboxamide (PubChem CID 155007816) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(4-cyclohexyloxyphenyl)prop-2-enyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-3-amino-2-[amino(methyl)amino]-3-(4-cyclohexyloxyphenyl)prop-2-enyl]cyclopentanecarboxamide
PubChem CID155007816
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-[(Z)-3-amino-2-[amino(methyl)amino]-3-(4-cyclohexyloxyphenyl)prop-2-enyl]cyclopentanecarboxamide
SMILESCN(N)/C(CNC(=O)C1CCCC1)=C(\N)c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C22H34N4O2/c1-26(24)20(15-25-22(27)17-7-5-6-8-17)21(23)16-11-13-19(14-12-16)28-18-9-3-2-4-10-18/h11-14,17-18H,2-10,15,23-24H2,1H3,(H,25,27)/b21-20-
InChIKeyVIYSIJHBNDRQKT-MRCUWXFGSA-N
XLogP3.14
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(Z)-3-amino-2-[amino(methyl)amino]-3-(4-cyclohexyloxyphenyl)prop-2-enyl]-1-benzyl-1-methylurea
CID 155007802
4-cycloheptyloxybenzamide
CID 141109251
methyl N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 166804155
(1-propylcyclopropyl)methyl N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl]carbamate
CID 166804302
(3-fluorophenyl)methyl N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl]carbamate
CID 166804221
N-(2-aminoethyl)-4-cyclohexyloxybenzamide
CID 110465257
4-cyclopentyloxy-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 109399951
(1S)-3-[4-[(E)-3-[amino(methyl)amino]-4-[methyl(phenylmethoxycarbonyl)amino]but-2-en-2-yl]phenoxy]cyclohexane-1-carboxylic acid
CID 166853643
N-[(4-cyclohexyloxyphenyl)methyl]piperidine-4-carboxamide
CID 119312792
4-cyclohexyloxy-N-(2-hydroxypropyl)benzamide
CID 110466236
1-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]-3-(2-methylpropyl)urea
CID 166804318
3-[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-6-methyl-2-pyridinyl)prop-2-enyl]-1-methyl-1-(3-methylbutan-2-yl)urea
CID 166804321

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(4-cyclohexyloxyphenyl)prop-2-enyl]cyclopentanecarboxamide?
The IUPAC name of N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(4-cyclohexyloxyphenyl)prop-2-enyl]cyclopentanecarboxamide (CID 155007816) is N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(4-cyclohexyloxyphenyl)prop-2-enyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(4-cyclohexyloxyphenyl)prop-2-enyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(4-cyclohexyloxyphenyl)prop-2-enyl]cyclopentanecarboxamide is CN(N)/C(CNC(=O)C1CCCC1)=C(\N)c1ccc(OC2CCCCC2)cc1.
What is the InChIKey of N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(4-cyclohexyloxyphenyl)prop-2-enyl]cyclopentanecarboxamide?
The InChIKey is VIYSIJHBNDRQKT-MRCUWXFGSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-26(24)20(15-25-22(27)17-7-5-6-8-17)21(23)16-11-13-19(14-12-16)28-18-9-3-2-4-10-18/h11-14,17-18H,2-10,15,23-24H2,1H3,(H,25,27)/b21-20-.
What are the key properties of N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(4-cyclohexyloxyphenyl)prop-2-enyl]cyclopentanecarboxamide?
N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(4-cyclohexyloxyphenyl)prop-2-enyl]cyclopentanecarboxamide has a molecular weight of 386.54 g/mol, XLogP of 3.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-amino-2-[amino(methyl)amino]-3-(4-cyclohexyloxyphenyl)prop-2-enyl]cyclopentanecarboxamide is sourced from PubChem (CID 155007816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).