ethanamine;ethane;formaldehyde;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylaniline

C34H51N3O4 — CID 142271382

IUPACethanamine;ethane;formaldehyde;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylaniline
SMILESC=O.C=O.CC.CCN.CNc1ccccc1.COc1ccccc1C(=O)NCC1(c2ccccc2)CCCCC1
InChIInChI=1S/C21H25NO2.C7H9N.C2H7N.C2H6.2CH2O/c1-24-19-13-7-6-12-18(19)20(23)22-16-21(14-8-3-9-15-21)17-10-4-2-5-11-17;1-8-7-5-3-2-4-6-7;1-2-3;3*1-2/h2,4-7,10-13H,3,8-9,14-16H2,1H3,(H,22,23);2-6,8H,1H3;2-3H2,1H3;1-2H3;2*1H2
InChIKeyCFMSFRCBQPFHEH-UHFFFAOYSA-N
MW565.80 g/mol
LogP6.68
Rot. Bonds6

About ethanamine;ethane;formaldehyde;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylaniline

ethanamine;ethane;formaldehyde;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylaniline (PubChem CID 142271382) has the molecular formula C34H51N3O4 and a molecular weight of 565.80 g/mol. Its IUPAC name is ethanamine;ethane;formaldehyde;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylaniline.

Molecular Properties

Compound Nameethanamine;ethane;formaldehyde;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylaniline
PubChem CID142271382
Molecular FormulaC34H51N3O4
Molecular Weight565.80 g/mol
Exact Mass565.39
IUPAC Nameethanamine;ethane;formaldehyde;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylaniline
SMILESC=O.C=O.CC.CCN.CNc1ccccc1.COc1ccccc1C(=O)NCC1(c2ccccc2)CCCCC1
InChIInChI=1S/C21H25NO2.C7H9N.C2H7N.C2H6.2CH2O/c1-24-19-13-7-6-12-18(19)20(23)22-16-21(14-8-3-9-15-21)17-10-4-2-5-11-17;1-8-7-5-3-2-4-6-7;1-2-3;3*1-2/h2,4-7,10-13H,3,8-9,14-16H2,1H3,(H,22,23);2-6,8H,1H3;2-3H2,1H3;1-2H3;2*1H2
InChIKeyCFMSFRCBQPFHEH-UHFFFAOYSA-N
XLogP6.68
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.80
LogP ≤ 56.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 18009445
2-methoxy-N-[2-(1-phenylcyclohexyl)ethyl]benzamide
CID 18449642
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate
CID 20694798
acetylene;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylmorpholine-4-sulfonamide
CID 142271452
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(1-hydroxycyclohexyl)-N-methylcarbamate
CID 54069418
[(1R,3S)-3-[[(2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] acetate
CID 54173169
2-methoxy-N-[[4-(2-methoxyethylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842305
prop-2-enyl N-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]-N-methylcarbamate
CID 18009457
2-methoxy-N-[[4-(methylamino)-1-phenylcyclohexyl]methyl]benzamide;2-methoxy-N-[[4-(methylsulfonylcarbamoylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 157499137
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
methyl 2-[2-[(1-phenylcyclopentyl)methylcarbamoyl]phenyl]sulfanylpropanoate
CID 55871591

Frequently Asked Questions

What is the IUPAC name of ethanamine;ethane;formaldehyde;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylaniline?
The IUPAC name of ethanamine;ethane;formaldehyde;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylaniline (CID 142271382) is ethanamine;ethane;formaldehyde;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylaniline.
What is the SMILES notation for ethanamine;ethane;formaldehyde;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylaniline?
The canonical SMILES for ethanamine;ethane;formaldehyde;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylaniline is C=O.C=O.CC.CCN.CNc1ccccc1.COc1ccccc1C(=O)NCC1(c2ccccc2)CCCCC1.
What is the InChIKey of ethanamine;ethane;formaldehyde;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylaniline?
The InChIKey is CFMSFRCBQPFHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2.C7H9N.C2H7N.C2H6.2CH2O/c1-24-19-13-7-6-12-18(19)20(23)22-16-21(14-8-3-9-15-21)17-10-4-2-5-11-17;1-8-7-5-3-2-4-6-7;1-2-3;3*1-2/h2,4-7,10-13H,3,8-9,14-16H2,1H3,(H,22,23);2-6,8H,1H3;2-3H2,1H3;1-2H3;2*1H2.
What are the key properties of ethanamine;ethane;formaldehyde;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylaniline?
ethanamine;ethane;formaldehyde;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylaniline has a molecular weight of 565.80 g/mol, XLogP of 6.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;ethane;formaldehyde;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylaniline is sourced from PubChem (CID 142271382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).