N-[2-cyclohexylpropan-2-yl(methyl)carbamoyl]-N-[2-(3-methylphenyl)-2-oxoethyl]formamide

C21H30N2O3 — CID 138510349

IUPACN-[2-cyclohexylpropan-2-yl(methyl)carbamoyl]-N-[2-(3-methylphenyl)-2-oxoethyl]formamide
SMILESCc1cccc(C(=O)CN(C=O)C(=O)N(C)C(C)(C)C2CCCCC2)c1
InChIInChI=1S/C21H30N2O3/c1-16-9-8-10-17(13-16)19(25)14-23(15-24)20(26)22(4)21(2,3)18-11-6-5-7-12-18/h8-10,13,15,18H,5-7,11-12,14H2,1-4H3
InChIKeyGWXQWALTUBIWCG-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.05
Rot. Bonds6

About N-[2-cyclohexylpropan-2-yl(methyl)carbamoyl]-N-[2-(3-methylphenyl)-2-oxoethyl]formamide

N-[2-cyclohexylpropan-2-yl(methyl)carbamoyl]-N-[2-(3-methylphenyl)-2-oxoethyl]formamide (PubChem CID 138510349) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N-[2-cyclohexylpropan-2-yl(methyl)carbamoyl]-N-[2-(3-methylphenyl)-2-oxoethyl]formamide.

Molecular Properties

Compound NameN-[2-cyclohexylpropan-2-yl(methyl)carbamoyl]-N-[2-(3-methylphenyl)-2-oxoethyl]formamide
PubChem CID138510349
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN-[2-cyclohexylpropan-2-yl(methyl)carbamoyl]-N-[2-(3-methylphenyl)-2-oxoethyl]formamide
SMILESCc1cccc(C(=O)CN(C=O)C(=O)N(C)C(C)(C)C2CCCCC2)c1
InChIInChI=1S/C21H30N2O3/c1-16-9-8-10-17(13-16)19(25)14-23(15-24)20(26)22(4)21(2,3)18-11-6-5-7-12-18/h8-10,13,15,18H,5-7,11-12,14H2,1-4H3
InChIKeyGWXQWALTUBIWCG-UHFFFAOYSA-N
XLogP4.05
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexylpropan-2-yl(methyl)carbamoyl]-N-[2-(3-methylphenyl)-2-oxoethyl]formamide?
The IUPAC name of N-[2-cyclohexylpropan-2-yl(methyl)carbamoyl]-N-[2-(3-methylphenyl)-2-oxoethyl]formamide (CID 138510349) is N-[2-cyclohexylpropan-2-yl(methyl)carbamoyl]-N-[2-(3-methylphenyl)-2-oxoethyl]formamide.
What is the SMILES notation for N-[2-cyclohexylpropan-2-yl(methyl)carbamoyl]-N-[2-(3-methylphenyl)-2-oxoethyl]formamide?
The canonical SMILES for N-[2-cyclohexylpropan-2-yl(methyl)carbamoyl]-N-[2-(3-methylphenyl)-2-oxoethyl]formamide is Cc1cccc(C(=O)CN(C=O)C(=O)N(C)C(C)(C)C2CCCCC2)c1.
What is the InChIKey of N-[2-cyclohexylpropan-2-yl(methyl)carbamoyl]-N-[2-(3-methylphenyl)-2-oxoethyl]formamide?
The InChIKey is GWXQWALTUBIWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-16-9-8-10-17(13-16)19(25)14-23(15-24)20(26)22(4)21(2,3)18-11-6-5-7-12-18/h8-10,13,15,18H,5-7,11-12,14H2,1-4H3.
What are the key properties of N-[2-cyclohexylpropan-2-yl(methyl)carbamoyl]-N-[2-(3-methylphenyl)-2-oxoethyl]formamide?
N-[2-cyclohexylpropan-2-yl(methyl)carbamoyl]-N-[2-(3-methylphenyl)-2-oxoethyl]formamide has a molecular weight of 358.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexylpropan-2-yl(methyl)carbamoyl]-N-[2-(3-methylphenyl)-2-oxoethyl]formamide is sourced from PubChem (CID 138510349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).