N-(1-cyclohexyl-2-oxoethyl)-2-[methyl(2-phenoxypropyl)amino]acetamide;ethane

C26H48N2O3 — CID 153353257

IUPACN-(1-cyclohexyl-2-oxoethyl)-2-[methyl(2-phenoxypropyl)amino]acetamide;ethane
SMILESCC.CC.CC.CC(CN(C)CC(=O)NC(C=O)C1CCCCC1)Oc1ccccc1
InChIInChI=1S/C20H30N2O3.3C2H6/c1-16(25-18-11-7-4-8-12-18)13-22(2)14-20(24)21-19(15-23)17-9-5-3-6-10-17;3*1-2/h4,7-8,11-12,15-17,19H,3,5-6,9-10,13-14H2,1-2H3,(H,21,24);3*1-2H3
InChIKeyRBKUSUMOALNOAU-UHFFFAOYSA-N
MW436.68 g/mol
LogP5.73
Rot. Bonds9

About N-(1-cyclohexyl-2-oxoethyl)-2-[methyl(2-phenoxypropyl)amino]acetamide;ethane

N-(1-cyclohexyl-2-oxoethyl)-2-[methyl(2-phenoxypropyl)amino]acetamide;ethane (PubChem CID 153353257) has the molecular formula C26H48N2O3 and a molecular weight of 436.68 g/mol. Its IUPAC name is N-(1-cyclohexyl-2-oxoethyl)-2-[methyl(2-phenoxypropyl)amino]acetamide;ethane.

Molecular Properties

Compound NameN-(1-cyclohexyl-2-oxoethyl)-2-[methyl(2-phenoxypropyl)amino]acetamide;ethane
PubChem CID153353257
Molecular FormulaC26H48N2O3
Molecular Weight436.68 g/mol
Exact Mass436.37
IUPAC NameN-(1-cyclohexyl-2-oxoethyl)-2-[methyl(2-phenoxypropyl)amino]acetamide;ethane
SMILESCC.CC.CC.CC(CN(C)CC(=O)NC(C=O)C1CCCCC1)Oc1ccccc1
InChIInChI=1S/C20H30N2O3.3C2H6/c1-16(25-18-11-7-4-8-12-18)13-22(2)14-20(24)21-19(15-23)17-9-5-3-6-10-17;3*1-2/h4,7-8,11-12,15-17,19H,3,5-6,9-10,13-14H2,1-2H3,(H,21,24);3*1-2H3
InChIKeyRBKUSUMOALNOAU-UHFFFAOYSA-N
XLogP5.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.68
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
2-[cyclohexyl(methyl)amino]-N-[(1R)-1-phenylethyl]acetamide
CID 8004439
N,N-dimethyl-2-phenoxypropan-1-amine
CID 15082323
2-cyclopentyloxy-N-[(2R)-2-phenoxypropyl]acetamide
CID 95901206
2-cyclopentyloxy-N-[(2S)-2-phenoxypropyl]acetamide
CID 95901205
(2S)-N-(cyclohexylmethyl)-2-phenoxypropanamide
CID 95900718
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
N-cyclohexyl-2-[(2-phenoxyacetyl)amino]propanamide
CID 51160967
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-phenoxyphenyl)acetamide
CID 9049215
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
N-(2-phenoxypropyl)-2-pyrrolidin-2-ylacetamide
CID 119734660
2-(cyclopropylamino)-2-methyl-4-phenoxypentanamide
CID 64706033

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-2-oxoethyl)-2-[methyl(2-phenoxypropyl)amino]acetamide;ethane?
The IUPAC name of N-(1-cyclohexyl-2-oxoethyl)-2-[methyl(2-phenoxypropyl)amino]acetamide;ethane (CID 153353257) is N-(1-cyclohexyl-2-oxoethyl)-2-[methyl(2-phenoxypropyl)amino]acetamide;ethane.
What is the SMILES notation for N-(1-cyclohexyl-2-oxoethyl)-2-[methyl(2-phenoxypropyl)amino]acetamide;ethane?
The canonical SMILES for N-(1-cyclohexyl-2-oxoethyl)-2-[methyl(2-phenoxypropyl)amino]acetamide;ethane is CC.CC.CC.CC(CN(C)CC(=O)NC(C=O)C1CCCCC1)Oc1ccccc1.
What is the InChIKey of N-(1-cyclohexyl-2-oxoethyl)-2-[methyl(2-phenoxypropyl)amino]acetamide;ethane?
The InChIKey is RBKUSUMOALNOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3.3C2H6/c1-16(25-18-11-7-4-8-12-18)13-22(2)14-20(24)21-19(15-23)17-9-5-3-6-10-17;3*1-2/h4,7-8,11-12,15-17,19H,3,5-6,9-10,13-14H2,1-2H3,(H,21,24);3*1-2H3.
What are the key properties of N-(1-cyclohexyl-2-oxoethyl)-2-[methyl(2-phenoxypropyl)amino]acetamide;ethane?
N-(1-cyclohexyl-2-oxoethyl)-2-[methyl(2-phenoxypropyl)amino]acetamide;ethane has a molecular weight of 436.68 g/mol, XLogP of 5.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-2-oxoethyl)-2-[methyl(2-phenoxypropyl)amino]acetamide;ethane is sourced from PubChem (CID 153353257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).