3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide

C18H27NO3 — CID 51550324

IUPAC3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OC(C)C
InChIInChI=1S/C18H27NO3/c1-12(2)22-16-10-9-14(11-17(16)21-4)18(20)19-15-8-6-5-7-13(15)3/h9-13,15H,5-8H2,1-4H3,(H,19,20)/t13-,15-/m1/s1
InChIKeyIVVRSBQBAHTFRP-UKRRQHHQSA-N
MW305.42 g/mol
LogP3.79
Rot. Bonds5

About 3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide

3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide (PubChem CID 51550324) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
PubChem CID51550324
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OC(C)C
InChIInChI=1S/C18H27NO3/c1-12(2)22-16-10-9-14(11-17(16)21-4)18(20)19-15-8-6-5-7-13(15)3/h9-13,15H,5-8H2,1-4H3,(H,19,20)/t13-,15-/m1/s1
InChIKeyIVVRSBQBAHTFRP-UKRRQHHQSA-N
XLogP3.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[(1R,2S)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550322
3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide
CID 120573745
3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9084365
4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide
CID 82070566
4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404491
4-(difluoromethoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxybenzamide
CID 11919951
1-[(3,4-dimethoxybenzoyl)amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8625077
3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 46651506
cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675150
N-(2-chlorocyclohexyl)-3,4-dimethoxybenzamide
CID 114301169
3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide
CID 82070419
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide?
The IUPAC name of 3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide (CID 51550324) is 3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide is COc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide?
The InChIKey is IVVRSBQBAHTFRP-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H27NO3/c1-12(2)22-16-10-9-14(11-17(16)21-4)18(20)19-15-8-6-5-7-13(15)3/h9-13,15H,5-8H2,1-4H3,(H,19,20)/t13-,15-/m1/s1.
What are the key properties of 3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide?
3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide has a molecular weight of 305.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 51550324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).