3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid

C17H25NO2 — CID 63074052

IUPAC3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid
SMILESCCN(C1CCCCC1)C(CC(=O)O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-2-18(15-11-7-4-8-12-15)16(13-17(19)20)14-9-5-3-6-10-14/h3,5-6,9-10,15-16H,2,4,7-8,11-13H2,1H3,(H,19,20)
InChIKeyVKVLTAJQPBNSAI-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.86
Rot. Bonds6

About 3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid

3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid (PubChem CID 63074052) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid
PubChem CID63074052
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid
SMILESCCN(C1CCCCC1)C(CC(=O)O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-2-18(15-11-7-4-8-12-15)16(13-17(19)20)14-9-5-3-6-10-14/h3,5-6,9-10,15-16H,2,4,7-8,11-13H2,1H3,(H,19,20)
InChIKeyVKVLTAJQPBNSAI-UHFFFAOYSA-N
XLogP3.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(3-methylbutyl)amino]-3-phenylpropanoic acid
CID 78924050
N-cyclohexyl-N-ethyl-2,2-diphenylacetamide
CID 21210383
3-[cycloheptyl(1-phenylethyl)amino]propanoic acid
CID 82328438
2-[1-[cyclohexyl(ethyl)amino]propyl]phenol
CID 82974115
N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62420532
3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61193959
(2R)-2-amino-N-cyclohexyl-N-ethyl-2-phenylacetamide
CID 61148081
3-[cyclopentyl(2-hydroxyethyl)amino]-3-phenylpropanethioamide
CID 62780290
3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61195800
N-(2-aminoethyl)-N-cyclohexyl-2-phenylbutanamide
CID 63753534
1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea
CID 112806156
3-[ethyl(2-methylpropyl)amino]-3-phenylpropanoic acid
CID 63067218

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid (CID 63074052) is 3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid is CCN(C1CCCCC1)C(CC(=O)O)c1ccccc1.
What is the InChIKey of 3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid?
The InChIKey is VKVLTAJQPBNSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-18(15-11-7-4-8-12-15)16(13-17(19)20)14-9-5-3-6-10-14/h3,5-6,9-10,15-16H,2,4,7-8,11-13H2,1H3,(H,19,20).
What are the key properties of 3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid?
3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 63074052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).