[(E)-[(2R)-2-heptylcyclopentylidene]amino] naphthalene-1-carboxylate

C23H29NO2 — CID 98084110

IUPAC[(E)-[(2R)-2-heptylcyclopentylidene]amino] naphthalene-1-carboxylate
SMILESCCCCCCC[C@@H]1CCC/C1=N\OC(=O)c1cccc2ccccc12
InChIInChI=1S/C23H29NO2/c1-2-3-4-5-6-12-19-14-10-17-22(19)24-26-23(25)21-16-9-13-18-11-7-8-15-20(18)21/h7-9,11,13,15-16,19H,2-6,10,12,14,17H2,1H3/b24-22+/t19-/m1/s1
InChIKeyGIJWEEYBTRYFAI-RSTPCFTMSA-N
MW351.49 g/mol
LogP6.51
Rot. Bonds8

About [(E)-[(2R)-2-heptylcyclopentylidene]amino] naphthalene-1-carboxylate

[(E)-[(2R)-2-heptylcyclopentylidene]amino] naphthalene-1-carboxylate (PubChem CID 98084110) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is [(E)-[(2R)-2-heptylcyclopentylidene]amino] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[(E)-[(2R)-2-heptylcyclopentylidene]amino] naphthalene-1-carboxylate
PubChem CID98084110
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name[(E)-[(2R)-2-heptylcyclopentylidene]amino] naphthalene-1-carboxylate
SMILESCCCCCCC[C@@H]1CCC/C1=N\OC(=O)c1cccc2ccccc12
InChIInChI=1S/C23H29NO2/c1-2-3-4-5-6-12-19-14-10-17-22(19)24-26-23(25)21-16-9-13-18-11-7-8-15-20(18)21/h7-9,11,13,15-16,19H,2-6,10,12,14,17H2,1H3/b24-22+/t19-/m1/s1
InChIKeyGIJWEEYBTRYFAI-RSTPCFTMSA-N
XLogP6.51
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 56.51
H-Bond Donors ≤ 50
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': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-[(2R)-2-heptylcyclopentylidene]amino] naphthalene-1-carboxylate 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

azane;dodecyl naphthalene-1-carboxylate
CID 172795658
[(E)-[(2R)-2-hexylcyclopentylidene]amino]urea
CID 7412207
CID 87547909
CID 87547909
trioctylstannyl naphthalene-1-carboxylate
CID 140558315
octan-2-yl naphthalene-1-carboxylate
CID 152706157
1-naphthalen-1-yldodecan-1-one
CID 3424169
N-(2-dodecylcyclohexylidene)hydroxylamine
CID 2729436
hexyl 1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxylate
CID 91722290
2-methyl-1-naphthalen-1-yldecan-1-one
CID 90112033
4-[bis(2-chloroethyl)amino]-N-[(E)-[(2R)-2-heptylcyclopentylidene]amino]benzamide
CID 98505233
4-[bis(2-chloroethyl)amino]-N-[(Z)-[(2R)-2-heptylcyclopentylidene]amino]benzamide
CID 98505230
(2-hexyl-2-methyldecyl) naphthalene-1-carboxylate
CID 138503843

Frequently Asked Questions

What is the IUPAC name of [(E)-[(2R)-2-heptylcyclopentylidene]amino] naphthalene-1-carboxylate?
The IUPAC name of [(E)-[(2R)-2-heptylcyclopentylidene]amino] naphthalene-1-carboxylate (CID 98084110) is [(E)-[(2R)-2-heptylcyclopentylidene]amino] naphthalene-1-carboxylate.
What is the SMILES notation for [(E)-[(2R)-2-heptylcyclopentylidene]amino] naphthalene-1-carboxylate?
The canonical SMILES for [(E)-[(2R)-2-heptylcyclopentylidene]amino] naphthalene-1-carboxylate is CCCCCCC[C@@H]1CCC/C1=N\OC(=O)c1cccc2ccccc12.
What is the InChIKey of [(E)-[(2R)-2-heptylcyclopentylidene]amino] naphthalene-1-carboxylate?
The InChIKey is GIJWEEYBTRYFAI-RSTPCFTMSA-N. The full InChI is InChI=1S/C23H29NO2/c1-2-3-4-5-6-12-19-14-10-17-22(19)24-26-23(25)21-16-9-13-18-11-7-8-15-20(18)21/h7-9,11,13,15-16,19H,2-6,10,12,14,17H2,1H3/b24-22+/t19-/m1/s1.
What are the key properties of [(E)-[(2R)-2-heptylcyclopentylidene]amino] naphthalene-1-carboxylate?
[(E)-[(2R)-2-heptylcyclopentylidene]amino] naphthalene-1-carboxylate has a molecular weight of 351.49 g/mol, XLogP of 6.51, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2R)-2-heptylcyclopentylidene]amino] naphthalene-1-carboxylate is sourced from PubChem (CID 98084110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).