N-[3-[cyclopropyl-(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide

C20H28N2O2 — CID 51113496

IUPACN-[3-[cyclopropyl-(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide
SMILESCC1CCC(N(C(=O)CCNC(=O)c2ccccc2)C2CC2)CC1
InChIInChI=1S/C20H28N2O2/c1-15-7-9-17(10-8-15)22(18-11-12-18)19(23)13-14-21-20(24)16-5-3-2-4-6-16/h2-6,15,17-18H,7-14H2,1H3,(H,21,24)
InChIKeyLNAMLBXILMYERO-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.38
Rot. Bonds6

About N-[3-[cyclopropyl-(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide

N-[3-[cyclopropyl-(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide (PubChem CID 51113496) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[3-[cyclopropyl-(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[cyclopropyl-(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide
PubChem CID51113496
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[3-[cyclopropyl-(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide
SMILESCC1CCC(N(C(=O)CCNC(=O)c2ccccc2)C2CC2)CC1
InChIInChI=1S/C20H28N2O2/c1-15-7-9-17(10-8-15)22(18-11-12-18)19(23)13-14-21-20(24)16-5-3-2-4-6-16/h2-6,15,17-18H,7-14H2,1H3,(H,21,24)
InChIKeyLNAMLBXILMYERO-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclopropyl-(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[cyclopropyl-(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide (CID 51113496) is N-[3-[cyclopropyl-(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[cyclopropyl-(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[cyclopropyl-(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide is CC1CCC(N(C(=O)CCNC(=O)c2ccccc2)C2CC2)CC1.
What is the InChIKey of N-[3-[cyclopropyl-(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide?
The InChIKey is LNAMLBXILMYERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15-7-9-17(10-8-15)22(18-11-12-18)19(23)13-14-21-20(24)16-5-3-2-4-6-16/h2-6,15,17-18H,7-14H2,1H3,(H,21,24).
What are the key properties of N-[3-[cyclopropyl-(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide?
N-[3-[cyclopropyl-(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide has a molecular weight of 328.46 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclopropyl-(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 51113496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).