benzyl N-[4-(2-methoxyethyl)cyclohexyl]-N-propan-2-ylcarbamate;4-(2-methoxyethyl)-N-propan-2-ylcyclohexan-1-amine

C32H56N2O4 — CID 159915632

IUPACbenzyl N-[4-(2-methoxyethyl)cyclohexyl]-N-propan-2-ylcarbamate;4-(2-methoxyethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCOCCC1CCC(N(C(=O)OCc2ccccc2)C(C)C)CC1.COCCC1CCC(NC(C)C)CC1
InChIInChI=1S/C20H31NO3.C12H25NO/c1-16(2)21(19-11-9-17(10-12-19)13-14-23-3)20(22)24-15-18-7-5-4-6-8-18;1-10(2)13-12-6-4-11(5-7-12)8-9-14-3/h4-8,16-17,19H,9-15H2,1-3H3;10-13H,4-9H2,1-3H3
InChIKeyNXSZCXNPKKCLSA-UHFFFAOYSA-N
MW532.81 g/mol
LogP7.21
Rot. Bonds12

About benzyl N-[4-(2-methoxyethyl)cyclohexyl]-N-propan-2-ylcarbamate;4-(2-methoxyethyl)-N-propan-2-ylcyclohexan-1-amine

benzyl N-[4-(2-methoxyethyl)cyclohexyl]-N-propan-2-ylcarbamate;4-(2-methoxyethyl)-N-propan-2-ylcyclohexan-1-amine (PubChem CID 159915632) has the molecular formula C32H56N2O4 and a molecular weight of 532.81 g/mol. Its IUPAC name is benzyl N-[4-(2-methoxyethyl)cyclohexyl]-N-propan-2-ylcarbamate;4-(2-methoxyethyl)-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Namebenzyl N-[4-(2-methoxyethyl)cyclohexyl]-N-propan-2-ylcarbamate;4-(2-methoxyethyl)-N-propan-2-ylcyclohexan-1-amine
PubChem CID159915632
Molecular FormulaC32H56N2O4
Molecular Weight532.81 g/mol
Exact Mass532.42
IUPAC Namebenzyl N-[4-(2-methoxyethyl)cyclohexyl]-N-propan-2-ylcarbamate;4-(2-methoxyethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCOCCC1CCC(N(C(=O)OCc2ccccc2)C(C)C)CC1.COCCC1CCC(NC(C)C)CC1
InChIInChI=1S/C20H31NO3.C12H25NO/c1-16(2)21(19-11-9-17(10-12-19)13-14-23-3)20(22)24-15-18-7-5-4-6-8-18;1-10(2)13-12-6-4-11(5-7-12)8-9-14-3/h4-8,16-17,19H,9-15H2,1-3H3;10-13H,4-9H2,1-3H3
InChIKeyNXSZCXNPKKCLSA-UHFFFAOYSA-N
XLogP7.21
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.81
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl N-[4-(2-methoxyethyl)cyclohexyl]-N-propan-2-ylcarbamate;4-(2-methoxyethyl)-N-propan-2-ylcyclohexan-1-amine 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

benzyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-propan-2-ylcarbamate
CID 66566633
benzyl N-[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-4-yl]-N-propan-2-ylcarbamate
CID 66566840
benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate
CID 66569385
benzyl N-[1-(2-aminopropanoyl)pyrrolidin-3-yl]-N-propan-2-ylcarbamate
CID 77144068
methyl (2S)-2-[[(2S)-3-cyclohexyl-2-[cyclopropyl(phenylmethoxycarbonyl)amino]propanoyl]amino]propanoate
CID 166156830
2-[(3S)-3-[phenylmethoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]acetic acid
CID 66566908
(2R)-2-(1-hydroxyethyl)-5-[phenylmethoxycarbonyl(propan-2-yl)amino]piperidine-1-carboxylic acid
CID 67548429
benzyl 2-(cyclopentylamino)propanoate
CID 123711216
benzyl N-[(1S,2S)-2-(2-hydroxyethylamino)cyclohexyl]-N-propan-2-ylcarbamate
CID 96553870
4-[[phenylmethoxycarbonyl(propan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 139267795
3-cyclopropyl-2-[cyclopropyl(phenylmethoxycarbonyl)amino]-2-methylpropanoic acid
CID 104866496
benzyl N-butan-2-yl-N-piperidin-4-ylcarbamate
CID 18677686

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(2-methoxyethyl)cyclohexyl]-N-propan-2-ylcarbamate;4-(2-methoxyethyl)-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of benzyl N-[4-(2-methoxyethyl)cyclohexyl]-N-propan-2-ylcarbamate;4-(2-methoxyethyl)-N-propan-2-ylcyclohexan-1-amine (CID 159915632) is benzyl N-[4-(2-methoxyethyl)cyclohexyl]-N-propan-2-ylcarbamate;4-(2-methoxyethyl)-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for benzyl N-[4-(2-methoxyethyl)cyclohexyl]-N-propan-2-ylcarbamate;4-(2-methoxyethyl)-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for benzyl N-[4-(2-methoxyethyl)cyclohexyl]-N-propan-2-ylcarbamate;4-(2-methoxyethyl)-N-propan-2-ylcyclohexan-1-amine is COCCC1CCC(N(C(=O)OCc2ccccc2)C(C)C)CC1.COCCC1CCC(NC(C)C)CC1.
What is the InChIKey of benzyl N-[4-(2-methoxyethyl)cyclohexyl]-N-propan-2-ylcarbamate;4-(2-methoxyethyl)-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is NXSZCXNPKKCLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3.C12H25NO/c1-16(2)21(19-11-9-17(10-12-19)13-14-23-3)20(22)24-15-18-7-5-4-6-8-18;1-10(2)13-12-6-4-11(5-7-12)8-9-14-3/h4-8,16-17,19H,9-15H2,1-3H3;10-13H,4-9H2,1-3H3.
What are the key properties of benzyl N-[4-(2-methoxyethyl)cyclohexyl]-N-propan-2-ylcarbamate;4-(2-methoxyethyl)-N-propan-2-ylcyclohexan-1-amine?
benzyl N-[4-(2-methoxyethyl)cyclohexyl]-N-propan-2-ylcarbamate;4-(2-methoxyethyl)-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 532.81 g/mol, XLogP of 7.21, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(2-methoxyethyl)cyclohexyl]-N-propan-2-ylcarbamate;4-(2-methoxyethyl)-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 159915632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).