N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide

C20H29N3O2 — CID 54846395

IUPACN-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
SMILESCc1c(NCC(=O)N(C)C2CCCCC2)cccc1NC(=O)C1CC1
InChIInChI=1S/C20H29N3O2/c1-14-17(9-6-10-18(14)22-20(25)15-11-12-15)21-13-19(24)23(2)16-7-4-3-5-8-16/h6,9-10,15-16,21H,3-5,7-8,11-13H2,1-2H3,(H,22,25)
InChIKeyQCNFPUZTBKDHNV-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.55
Rot. Bonds6

About N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide

N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide (PubChem CID 54846395) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
PubChem CID54846395
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
SMILESCc1c(NCC(=O)N(C)C2CCCCC2)cccc1NC(=O)C1CC1
InChIInChI=1S/C20H29N3O2/c1-14-17(9-6-10-18(14)22-20(25)15-11-12-15)21-13-19(24)23(2)16-7-4-3-5-8-16/h6,9-10,15-16,21H,3-5,7-8,11-13H2,1-2H3,(H,22,25)
InChIKeyQCNFPUZTBKDHNV-UHFFFAOYSA-N
XLogP3.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide (CID 54846395) is N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide is Cc1c(NCC(=O)N(C)C2CCCCC2)cccc1NC(=O)C1CC1.
What is the InChIKey of N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The InChIKey is QCNFPUZTBKDHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14-17(9-6-10-18(14)22-20(25)15-11-12-15)21-13-19(24)23(2)16-7-4-3-5-8-16/h6,9-10,15-16,21H,3-5,7-8,11-13H2,1-2H3,(H,22,25).
What are the key properties of N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 54846395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).