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

C28H36N2O4 — CID 59224555

IUPACbenzyl N-[3-[cycloheptyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate
SMILESO=CCN(C(=O)CCN(CCc1ccccc1)C(=O)OCc1ccccc1)C1CCCCCC1
InChIInChI=1S/C28H36N2O4/c31-22-21-30(26-15-9-1-2-10-16-26)27(32)18-20-29(19-17-24-11-5-3-6-12-24)28(33)34-23-25-13-7-4-8-14-25/h3-8,11-14,22,26H,1-2,9-10,15-21,23H2
InChIKeyHPDIAMNLDSKJLN-UHFFFAOYSA-N
MW464.61 g/mol
LogP5.01
Rot. Bonds11

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

benzyl N-[3-[cycloheptyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate (PubChem CID 59224555) has the molecular formula C28H36N2O4 and a molecular weight of 464.61 g/mol. Its IUPAC name is benzyl N-[3-[cycloheptyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[cycloheptyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate
PubChem CID59224555
Molecular FormulaC28H36N2O4
Molecular Weight464.61 g/mol
Exact Mass464.27
IUPAC Namebenzyl N-[3-[cycloheptyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate
SMILESO=CCN(C(=O)CCN(CCc1ccccc1)C(=O)OCc1ccccc1)C1CCCCCC1
InChIInChI=1S/C28H36N2O4/c31-22-21-30(26-15-9-1-2-10-16-26)27(32)18-20-29(19-17-24-11-5-3-6-12-24)28(33)34-23-25-13-7-4-8-14-25/h3-8,11-14,22,26H,1-2,9-10,15-21,23H2
InChIKeyHPDIAMNLDSKJLN-UHFFFAOYSA-N
XLogP5.01
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 55.01
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-[cyclohexyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate
CID 59224565
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
benzyl N-cyclohexyl-N-(nitromethyl)carbamate
CID 100967512
N-(2-aminoethyl)-2-cyclohexyl-N-(2-phenylethyl)acetamide
CID 120886160
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-[cycloheptyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate?
The IUPAC name of benzyl N-[3-[cycloheptyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate (CID 59224555) is benzyl N-[3-[cycloheptyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate.
What is the SMILES notation for benzyl N-[3-[cycloheptyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate?
The canonical SMILES for benzyl N-[3-[cycloheptyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate is O=CCN(C(=O)CCN(CCc1ccccc1)C(=O)OCc1ccccc1)C1CCCCCC1.
What is the InChIKey of benzyl N-[3-[cycloheptyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate?
The InChIKey is HPDIAMNLDSKJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O4/c31-22-21-30(26-15-9-1-2-10-16-26)27(32)18-20-29(19-17-24-11-5-3-6-12-24)28(33)34-23-25-13-7-4-8-14-25/h3-8,11-14,22,26H,1-2,9-10,15-21,23H2.
What are the key properties of benzyl N-[3-[cycloheptyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate?
benzyl N-[3-[cycloheptyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate has a molecular weight of 464.61 g/mol, XLogP of 5.01, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[cycloheptyl(2-oxoethyl)amino]-3-oxopropyl]-N-(2-phenylethyl)carbamate is sourced from PubChem (CID 59224555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).