ethane;methanamine;2-(4-methylcyclohexyl)-N-(1-phenylpropan-2-yl)acetamide

C23H44N2O — CID 169246868

IUPACethane;methanamine;2-(4-methylcyclohexyl)-N-(1-phenylpropan-2-yl)acetamide
SMILESCC.CC.CC1CCC(CC(=O)NC(C)Cc2ccccc2)CC1.CN
InChIInChI=1S/C18H27NO.2C2H6.CH5N/c1-14-8-10-17(11-9-14)13-18(20)19-15(2)12-16-6-4-3-5-7-16;3*1-2/h3-7,14-15,17H,8-13H2,1-2H3,(H,19,20);2*1-2H3;2H2,1H3
InChIKeyVIVZUYAFYIMFQP-UHFFFAOYSA-N
MW364.62 g/mol
LogP5.58
Rot. Bonds5

About ethane;methanamine;2-(4-methylcyclohexyl)-N-(1-phenylpropan-2-yl)acetamide

ethane;methanamine;2-(4-methylcyclohexyl)-N-(1-phenylpropan-2-yl)acetamide (PubChem CID 169246868) has the molecular formula C23H44N2O and a molecular weight of 364.62 g/mol. Its IUPAC name is ethane;methanamine;2-(4-methylcyclohexyl)-N-(1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound Nameethane;methanamine;2-(4-methylcyclohexyl)-N-(1-phenylpropan-2-yl)acetamide
PubChem CID169246868
Molecular FormulaC23H44N2O
Molecular Weight364.62 g/mol
Exact Mass364.35
IUPAC Nameethane;methanamine;2-(4-methylcyclohexyl)-N-(1-phenylpropan-2-yl)acetamide
SMILESCC.CC.CC1CCC(CC(=O)NC(C)Cc2ccccc2)CC1.CN
InChIInChI=1S/C18H27NO.2C2H6.CH5N/c1-14-8-10-17(11-9-14)13-18(20)19-15(2)12-16-6-4-3-5-7-16;3*1-2/h3-7,14-15,17H,8-13H2,1-2H3,(H,19,20);2*1-2H3;2H2,1H3
InChIKeyVIVZUYAFYIMFQP-UHFFFAOYSA-N
XLogP5.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
4-ethyl-N-[(2S)-1-phenylpropan-2-yl]cyclohexane-1-carboxamide
CID 143582759
2-hydroxy-N-(1-phenylpropan-2-yl)acetamide
CID 163342933
(2R)-2-[(4-methylcyclohexyl)methylamino]-3-phenylpropanoic acid
CID 99779349
N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 59422599
2-[(2-cyclopentylacetyl)amino]-3-phenylpropanoic acid
CID 16772049
2-[(2-cyclohexylacetyl)amino]-3-phenylpropanamide
CID 48735757
benzyl 2-(4-methylcyclohexyl)acetate
CID 147419326
2-(azetidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 64611423
N-[1-(1-benzothiophen-3-yl)propan-2-yl]-2-cyclopropylacetamide
CID 121023406
(2S)-3-phenyl-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]propanoic acid
CID 72910352
3-chloro-N-(1-phenylpropan-2-yl)propanamide
CID 3550913

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;2-(4-methylcyclohexyl)-N-(1-phenylpropan-2-yl)acetamide?
The IUPAC name of ethane;methanamine;2-(4-methylcyclohexyl)-N-(1-phenylpropan-2-yl)acetamide (CID 169246868) is ethane;methanamine;2-(4-methylcyclohexyl)-N-(1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for ethane;methanamine;2-(4-methylcyclohexyl)-N-(1-phenylpropan-2-yl)acetamide?
The canonical SMILES for ethane;methanamine;2-(4-methylcyclohexyl)-N-(1-phenylpropan-2-yl)acetamide is CC.CC.CC1CCC(CC(=O)NC(C)Cc2ccccc2)CC1.CN.
What is the InChIKey of ethane;methanamine;2-(4-methylcyclohexyl)-N-(1-phenylpropan-2-yl)acetamide?
The InChIKey is VIVZUYAFYIMFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO.2C2H6.CH5N/c1-14-8-10-17(11-9-14)13-18(20)19-15(2)12-16-6-4-3-5-7-16;3*1-2/h3-7,14-15,17H,8-13H2,1-2H3,(H,19,20);2*1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;2-(4-methylcyclohexyl)-N-(1-phenylpropan-2-yl)acetamide?
ethane;methanamine;2-(4-methylcyclohexyl)-N-(1-phenylpropan-2-yl)acetamide has a molecular weight of 364.62 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;2-(4-methylcyclohexyl)-N-(1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 169246868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).