4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide

C19H29NO3 — CID 9404491

IUPAC4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
SMILESCCCCOc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1OC
InChIInChI=1S/C19H29NO3/c1-4-5-12-23-17-11-10-15(13-18(17)22-3)19(21)20-16-9-7-6-8-14(16)2/h10-11,13-14,16H,4-9,12H2,1-3H3,(H,20,21)/t14-,16+/m1/s1
InChIKeyTYCCVSRJAQPYFJ-ZBFHGGJFSA-N
MW319.45 g/mol
LogP4.18
Rot. Bonds7

About 4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide

4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide (PubChem CID 9404491) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
PubChem CID9404491
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
SMILESCCCCOc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1OC
InChIInChI=1S/C19H29NO3/c1-4-5-12-23-17-11-10-15(13-18(17)22-3)19(21)20-16-9-7-6-8-14(16)2/h10-11,13-14,16H,4-9,12H2,1-3H3,(H,20,21)/t14-,16+/m1/s1
InChIKeyTYCCVSRJAQPYFJ-ZBFHGGJFSA-N
XLogP4.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-butoxy-N-(2-methylcyclohexyl)benzamide
CID 82070335
3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide
CID 54538637
3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide
CID 82070304
3-methoxy-N-[(1R,2S)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550322
3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550324
3-methoxy-4-methyl-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9084365
4-amino-3-methoxy-N-(2-methylcyclohexyl)benzamide
CID 82070566
3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 46651506
1-[(3,4-dimethoxybenzoyl)amino]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8625077
4-(2-amino-2-oxoethoxy)-N-[(1R,2R)-2-butylcyclopentyl]-3-methoxybenzamide
CID 95157803
4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide
CID 51153166
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
The IUPAC name of 4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide (CID 9404491) is 4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide.
What is the SMILES notation for 4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
The canonical SMILES for 4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide is CCCCOc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)cc1OC.
What is the InChIKey of 4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
The InChIKey is TYCCVSRJAQPYFJ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H29NO3/c1-4-5-12-23-17-11-10-15(13-18(17)22-3)19(21)20-16-9-7-6-8-14(16)2/h10-11,13-14,16H,4-9,12H2,1-3H3,(H,20,21)/t14-,16+/m1/s1.
What are the key properties of 4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide has a molecular weight of 319.45 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide is sourced from PubChem (CID 9404491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).