benzyl N-[3-[cyclohexyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate

C27H34N2O4 — CID 59224565

IUPACbenzyl N-[3-[cyclohexyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate
SMILESO=CCN(C(=O)CCN(CCc1ccccc1)C(=O)OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C27H34N2O4/c30-21-20-29(25-14-8-3-9-15-25)26(31)17-19-28(18-16-23-10-4-1-5-11-23)27(32)33-22-24-12-6-2-7-13-24/h1-2,4-7,10-13,21,25H,3,8-9,14-20,22H2
InChIKeyDCALSSWGBCVGEZ-UHFFFAOYSA-N
MW450.58 g/mol
LogP4.62
Rot. Bonds11

About benzyl N-[3-[cyclohexyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate

benzyl N-[3-[cyclohexyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate (PubChem CID 59224565) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is benzyl N-[3-[cyclohexyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[cyclohexyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate
PubChem CID59224565
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC Namebenzyl N-[3-[cyclohexyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate
SMILESO=CCN(C(=O)CCN(CCc1ccccc1)C(=O)OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C27H34N2O4/c30-21-20-29(25-14-8-3-9-15-25)26(31)17-19-28(18-16-23-10-4-1-5-11-23)27(32)33-22-24-12-6-2-7-13-24/h1-2,4-7,10-13,21,25H,3,8-9,14-20,22H2
InChIKeyDCALSSWGBCVGEZ-UHFFFAOYSA-N
XLogP4.62
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[3-[cycloheptyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate
CID 59224555
benzyl N-[2-(3-amino-4-phenylmethoxyphenyl)ethyl]-N-[2-[cyclohexyl-[3-[2-phenylethyl(phenylmethoxycarbonyl)amino]propanoyl]amino]ethyl]carbamate
CID 59224594
benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate
CID 102443361
benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide
CID 63391462
N-cyclopentyl-N-(2-phenylethyl)butanamide
CID 78853681
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
N-benzyl-3-[cyclohexyl(cyclohexylcarbamoyl)amino]-N-(2-phenylethyl)propanamide
CID 42699430
N-cyclohexyl-N-(2-phenylethyl)formamide
CID 87224609
N-(2-aminoethyl)-2-cyclohexyl-N-(2-phenylethyl)acetamide
CID 120886160
benzyl N-cyclohexyl-N-(nitromethyl)carbamate
CID 100967512
N-cyclohexyl-N-(2-phenylethyl)-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 99946333

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[cyclohexyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate?
The IUPAC name of benzyl N-[3-[cyclohexyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate (CID 59224565) is benzyl N-[3-[cyclohexyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate.
What is the SMILES notation for benzyl N-[3-[cyclohexyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate?
The canonical SMILES for benzyl N-[3-[cyclohexyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate is O=CCN(C(=O)CCN(CCc1ccccc1)C(=O)OCc1ccccc1)C1CCCCC1.
What is the InChIKey of benzyl N-[3-[cyclohexyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate?
The InChIKey is DCALSSWGBCVGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c30-21-20-29(25-14-8-3-9-15-25)26(31)17-19-28(18-16-23-10-4-1-5-11-23)27(32)33-22-24-12-6-2-7-13-24/h1-2,4-7,10-13,21,25H,3,8-9,14-20,22H2.
What are the key properties of benzyl N-[3-[cyclohexyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate?
benzyl N-[3-[cyclohexyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate has a molecular weight of 450.58 g/mol, XLogP of 4.62, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[cyclohexyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate is sourced from PubChem (CID 59224565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).