4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide

C20H32N2O2 — CID 111459679

IUPAC4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide
SMILESCCN(Cc1ccc(C(=O)NCC2CCCC(O)C2)cc1)C(C)C
InChIInChI=1S/C20H32N2O2/c1-4-22(15(2)3)14-16-8-10-18(11-9-16)20(24)21-13-17-6-5-7-19(23)12-17/h8-11,15,17,19,23H,4-7,12-14H2,1-3H3,(H,21,24)
InChIKeyKUHFAZFAHDSXFQ-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.20
Rot. Bonds7

About 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide

4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide (PubChem CID 111459679) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide
PubChem CID111459679
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide
SMILESCCN(Cc1ccc(C(=O)NCC2CCCC(O)C2)cc1)C(C)C
InChIInChI=1S/C20H32N2O2/c1-4-22(15(2)3)14-16-8-10-18(11-9-16)20(24)21-13-17-6-5-7-19(23)12-17/h8-11,15,17,19,23H,4-7,12-14H2,1-3H3,(H,21,24)
InChIKeyKUHFAZFAHDSXFQ-UHFFFAOYSA-N
XLogP3.20
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-acetylpiperidin-4-yl)methyl]-4-[[ethyl(propan-2-yl)amino]methyl]benzamide
CID 167972606
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-piperidin-3-ylethyl)benzamide
CID 119557132
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
4-[[ethyl(propan-2-yl)amino]methyl]benzohydrazide
CID 63573634
3-N-ethyl-1-N-[(3-hydroxycyclohexyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 111460252
N-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride
CID 119383699
4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]benzoic acid
CID 119353542
3,4-dihydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103957239
N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
CID 103691279
6-(dimethylamino)-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103690739
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide (CID 111459679) is 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide is CCN(Cc1ccc(C(=O)NCC2CCCC(O)C2)cc1)C(C)C.
What is the InChIKey of 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is KUHFAZFAHDSXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-4-22(15(2)3)14-16-8-10-18(11-9-16)20(24)21-13-17-6-5-7-19(23)12-17/h8-11,15,17,19,23H,4-7,12-14H2,1-3H3,(H,21,24).
What are the key properties of 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide?
4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 332.49 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(propan-2-yl)amino]methyl]-N-[(3-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 111459679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).