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

C18H26N2O3 — CID 4963484

IUPAC2-methoxy-N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NC1CCC(C)CC1
InChIInChI=1S/C18H26N2O3/c1-13-7-9-14(10-8-13)20-17(21)11-12-19-18(22)15-5-3-4-6-16(15)23-2/h3-6,13-14H,7-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyOUVZSUNYPQPLMJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.51
Rot. Bonds6

About 2-methoxy-N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide

2-methoxy-N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide (PubChem CID 4963484) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methoxy-N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide
PubChem CID4963484
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-methoxy-N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)NC1CCC(C)CC1
InChIInChI=1S/C18H26N2O3/c1-13-7-9-14(10-8-13)20-17(21)11-12-19-18(22)15-5-3-4-6-16(15)23-2/h3-6,13-14H,7-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyOUVZSUNYPQPLMJ-UHFFFAOYSA-N
XLogP2.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide (CID 4963484) is 2-methoxy-N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide is COc1ccccc1C(=O)NCCC(=O)NC1CCC(C)CC1.
What is the InChIKey of 2-methoxy-N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide?
The InChIKey is OUVZSUNYPQPLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-7-9-14(10-8-13)20-17(21)11-12-19-18(22)15-5-3-4-6-16(15)23-2/h3-6,13-14H,7-12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 2-methoxy-N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide?
2-methoxy-N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide has a molecular weight of 318.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 4963484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).