[(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] formate

C16H23N3O3 — CID 155007704

IUPAC[(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] formate
SMILESN/C(=C\N(N)c1ccc(OC2CCCCC2)cc1)COC=O
InChIInChI=1S/C16H23N3O3/c17-13(11-21-12-20)10-19(18)14-6-8-16(9-7-14)22-15-4-2-1-3-5-15/h6-10,12,15H,1-5,11,17-18H2/b13-10-
InChIKeyNUQSFWVWZDVBGO-RAXLEYEMSA-N
MW305.38 g/mol
LogP2.05
Rot. Bonds7

About [(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] formate

[(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] formate (PubChem CID 155007704) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is [(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] formate.

Molecular Properties

Compound Name[(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] formate
PubChem CID155007704
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name[(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] formate
SMILESN/C(=C\N(N)c1ccc(OC2CCCCC2)cc1)COC=O
InChIInChI=1S/C16H23N3O3/c17-13(11-21-12-20)10-19(18)14-6-8-16(9-7-14)22-15-4-2-1-3-5-15/h6-10,12,15H,1-5,11,17-18H2/b13-10-
InChIKeyNUQSFWVWZDVBGO-RAXLEYEMSA-N
XLogP2.05
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] N-benzyl-N-methylcarbamate
CID 166853599
4-cycloheptyloxybenzamide
CID 141109251
4-cyclopentyloxybenzaldehyde
CID 3152724
2-(4-cyclopentyloxyphenyl)acetamide
CID 82493829
4-cycloheptyloxyphenol
CID 67178425
2-[(4-cyclohexyloxyphenyl)methyl]guanidine
CID 110917755
2-(4-cyclopentyloxyanilino)acetamide
CID 70088108
(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enal
CID 167298749
N-(4-cyclopentyloxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 96678158
3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid
CID 117376397
4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde
CID 87615692
1-(4-cycloheptyloxyphenyl)piperidin-4-amine
CID 82925702

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] formate?
The IUPAC name of [(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] formate (CID 155007704) is [(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] formate.
What is the SMILES notation for [(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] formate?
The canonical SMILES for [(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] formate is N/C(=C\N(N)c1ccc(OC2CCCCC2)cc1)COC=O.
What is the InChIKey of [(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] formate?
The InChIKey is NUQSFWVWZDVBGO-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H23N3O3/c17-13(11-21-12-20)10-19(18)14-6-8-16(9-7-14)22-15-4-2-1-3-5-15/h6-10,12,15H,1-5,11,17-18H2/b13-10-.
What are the key properties of [(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] formate?
[(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] formate has a molecular weight of 305.38 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-amino-3-(N-amino-4-cyclohexyloxyanilino)prop-2-enyl] formate is sourced from PubChem (CID 155007704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).