1-[ethyl(formyl)amino]-4-phenylcyclohexane-1-carboxylic acid

C16H21NO3 — CID 63688884

IUPAC1-[ethyl(formyl)amino]-4-phenylcyclohexane-1-carboxylic acid
SMILESCCN(C=O)C1(C(=O)O)CCC(c2ccccc2)CC1
InChIInChI=1S/C16H21NO3/c1-2-17(12-18)16(15(19)20)10-8-14(9-11-16)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,19,20)
InChIKeyLENNREOJWAMKMW-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.65
Rot. Bonds5

About 1-[ethyl(formyl)amino]-4-phenylcyclohexane-1-carboxylic acid

1-[ethyl(formyl)amino]-4-phenylcyclohexane-1-carboxylic acid (PubChem CID 63688884) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[ethyl(formyl)amino]-4-phenylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(formyl)amino]-4-phenylcyclohexane-1-carboxylic acid
PubChem CID63688884
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-[ethyl(formyl)amino]-4-phenylcyclohexane-1-carboxylic acid
SMILESCCN(C=O)C1(C(=O)O)CCC(c2ccccc2)CC1
InChIInChI=1S/C16H21NO3/c1-2-17(12-18)16(15(19)20)10-8-14(9-11-16)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,19,20)
InChIKeyLENNREOJWAMKMW-UHFFFAOYSA-N
XLogP2.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(formyl)amino]-4-phenylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[ethyl(formyl)amino]-4-phenylcyclohexane-1-carboxylic acid (CID 63688884) is 1-[ethyl(formyl)amino]-4-phenylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[ethyl(formyl)amino]-4-phenylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[ethyl(formyl)amino]-4-phenylcyclohexane-1-carboxylic acid is CCN(C=O)C1(C(=O)O)CCC(c2ccccc2)CC1.
What is the InChIKey of 1-[ethyl(formyl)amino]-4-phenylcyclohexane-1-carboxylic acid?
The InChIKey is LENNREOJWAMKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-17(12-18)16(15(19)20)10-8-14(9-11-16)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,19,20).
What are the key properties of 1-[ethyl(formyl)amino]-4-phenylcyclohexane-1-carboxylic acid?
1-[ethyl(formyl)amino]-4-phenylcyclohexane-1-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(formyl)amino]-4-phenylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 63688884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).