cyclohexyl (1S)-6-[benzyl(methyl)carbamoyl]-5-ethylcyclohex-3-ene-1-carboxylate;molecular hydrogen

C24H35NO3 — CID 143966203

IUPACcyclohexyl (1S)-6-[benzyl(methyl)carbamoyl]-5-ethylcyclohex-3-ene-1-carboxylate;molecular hydrogen
SMILESCCC1C=CC[C@H](C(=O)OC2CCCCC2)C1C(=O)N(C)Cc1ccccc1.[H][H]
InChIInChI=1S/C24H33NO3.H2/c1-3-19-13-10-16-21(24(27)28-20-14-8-5-9-15-20)22(19)23(26)25(2)17-18-11-6-4-7-12-18;/h4,6-7,10-13,19-22H,3,5,8-9,14-17H2,1-2H3;1H/t19?,21-,22?;/m0./s1
InChIKeyUHZPBIOJBCPUNI-NQFDUEACSA-N
MW385.55 g/mol
LogP4.99
Rot. Bonds6

About cyclohexyl (1S)-6-[benzyl(methyl)carbamoyl]-5-ethylcyclohex-3-ene-1-carboxylate;molecular hydrogen

cyclohexyl (1S)-6-[benzyl(methyl)carbamoyl]-5-ethylcyclohex-3-ene-1-carboxylate;molecular hydrogen (PubChem CID 143966203) has the molecular formula C24H35NO3 and a molecular weight of 385.55 g/mol. Its IUPAC name is cyclohexyl (1S)-6-[benzyl(methyl)carbamoyl]-5-ethylcyclohex-3-ene-1-carboxylate;molecular hydrogen.

Molecular Properties

Compound Namecyclohexyl (1S)-6-[benzyl(methyl)carbamoyl]-5-ethylcyclohex-3-ene-1-carboxylate;molecular hydrogen
PubChem CID143966203
Molecular FormulaC24H35NO3
Molecular Weight385.55 g/mol
Exact Mass385.26
IUPAC Namecyclohexyl (1S)-6-[benzyl(methyl)carbamoyl]-5-ethylcyclohex-3-ene-1-carboxylate;molecular hydrogen
SMILESCCC1C=CC[C@H](C(=O)OC2CCCCC2)C1C(=O)N(C)Cc1ccccc1.[H][H]
InChIInChI=1S/C24H33NO3.H2/c1-3-19-13-10-16-21(24(27)28-20-14-8-5-9-15-20)22(19)23(26)25(2)17-18-11-6-4-7-12-18;/h4,6-7,10-13,19-22H,3,5,8-9,14-17H2,1-2H3;1H/t19?,21-,22?;/m0./s1
InChIKeyUHZPBIOJBCPUNI-NQFDUEACSA-N
XLogP4.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclohexyl (1S)-6-[benzyl(methyl)carbamoyl]-5-ethylcyclohex-3-ene-1-carboxylate;molecular hydrogen 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

6-[(4-Benzyl-1-piperazinyl)carbonyl]-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
CID 2912153
Methyl 4-(benzyl{2-[benzyl(4-methoxy-4-oxobutanoyl)amino]ethyl}amino)-4-oxobutanoate
CID 2835079
Ethyl 3-[benzyl(methyl)amino]-2-cyclohexyl-3-oxopropanoate
CID 2899015
(3R,4R)-1-Benzyl-3-phenyl-piperidine-4-carboxylic acid ethyl ester
CID 16682153
(1-Benzyl-4-oxo-piperidin-3-yl)-acetic acid ethyl ester
CID 244863
2-(Dibenzylcarbamoyl)cyclohexanecarboxylic acid
CID 307337
(4AR,8S,8aR)-2-benzyl-1-oxo-1,2,3,4,4a,7,8,8a-octahydroisoquinoline-8-carboxylic acid
CID 59529029
ethyl (3R,4R)-1-benzyl-3-phenylpiperidine-4-carboxylate
CID 1417751
Ethyl 1-benzyl-3-phenylpiperidine-4-carboxylate
CID 4310973
Methyl 4-(1-benzylpiperidin-1-ium-1-yl)-3-(4-fluorophenyl)-4-oxobutanoate
CID 53641893
ethyl 4-[1-benzyl-5-fluoro-2-oxo-4-[(E)-2-phenylethenyl]-3-pyridinyl]butanoate
CID 155675098
Cyclohex-3-enecarboxylic acid, 6-(1-cyano-1H-isoquinoline-2-carbonyl)-, isopropyl ester
CID 5059866

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (1S)-6-[benzyl(methyl)carbamoyl]-5-ethylcyclohex-3-ene-1-carboxylate;molecular hydrogen?
The IUPAC name of cyclohexyl (1S)-6-[benzyl(methyl)carbamoyl]-5-ethylcyclohex-3-ene-1-carboxylate;molecular hydrogen (CID 143966203) is cyclohexyl (1S)-6-[benzyl(methyl)carbamoyl]-5-ethylcyclohex-3-ene-1-carboxylate;molecular hydrogen.
What is the SMILES notation for cyclohexyl (1S)-6-[benzyl(methyl)carbamoyl]-5-ethylcyclohex-3-ene-1-carboxylate;molecular hydrogen?
The canonical SMILES for cyclohexyl (1S)-6-[benzyl(methyl)carbamoyl]-5-ethylcyclohex-3-ene-1-carboxylate;molecular hydrogen is CCC1C=CC[C@H](C(=O)OC2CCCCC2)C1C(=O)N(C)Cc1ccccc1.[H][H].
What is the InChIKey of cyclohexyl (1S)-6-[benzyl(methyl)carbamoyl]-5-ethylcyclohex-3-ene-1-carboxylate;molecular hydrogen?
The InChIKey is UHZPBIOJBCPUNI-NQFDUEACSA-N. The full InChI is InChI=1S/C24H33NO3.H2/c1-3-19-13-10-16-21(24(27)28-20-14-8-5-9-15-20)22(19)23(26)25(2)17-18-11-6-4-7-12-18;/h4,6-7,10-13,19-22H,3,5,8-9,14-17H2,1-2H3;1H/t19?,21-,22?;/m0./s1.
What are the key properties of cyclohexyl (1S)-6-[benzyl(methyl)carbamoyl]-5-ethylcyclohex-3-ene-1-carboxylate;molecular hydrogen?
cyclohexyl (1S)-6-[benzyl(methyl)carbamoyl]-5-ethylcyclohex-3-ene-1-carboxylate;molecular hydrogen has a molecular weight of 385.55 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (1S)-6-[benzyl(methyl)carbamoyl]-5-ethylcyclohex-3-ene-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 143966203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).