N-[1-(aminomethyl)-2-methylcyclohexyl]-2-methoxy-2-phenylacetamide

C17H26N2O2 — CID 115308431

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NC1(CN)CCCCC1C)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-13-8-6-7-11-17(13,12-18)19-16(20)15(21-2)14-9-4-3-5-10-14/h3-5,9-10,13,15H,6-8,11-12,18H2,1-2H3,(H,19,20)
InChIKeyFDBLLBUVZHFULN-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.40
Rot. Bonds5

About N-[1-(aminomethyl)-2-methylcyclohexyl]-2-methoxy-2-phenylacetamide

N-[1-(aminomethyl)-2-methylcyclohexyl]-2-methoxy-2-phenylacetamide (PubChem CID 115308431) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2-methoxy-2-phenylacetamide
PubChem CID115308431
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NC1(CN)CCCCC1C)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-13-8-6-7-11-17(13,12-18)19-16(20)15(21-2)14-9-4-3-5-10-14/h3-5,9-10,13,15H,6-8,11-12,18H2,1-2H3,(H,19,20)
InChIKeyFDBLLBUVZHFULN-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide
CID 113283646
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(2-methoxyphenyl)acetamide
CID 115308488
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,3-dimethylbutanamide
CID 113283692
(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 101462807
1-[(2-methoxy-2-phenylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81158771
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-2-phenylacetamide
CID 64929493
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methoxybutanamide
CID 115308528
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide
CID 115308514
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide
CID 107098315
(2R)-N-cyclopentyl-2-[[(2S)-2-methoxy-2-phenylacetyl]amino]propanamide
CID 95303216

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-methoxy-2-phenylacetamide (CID 115308431) is N-[1-(aminomethyl)-2-methylcyclohexyl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-methoxy-2-phenylacetamide is COC(C(=O)NC1(CN)CCCCC1C)c1ccccc1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-methoxy-2-phenylacetamide?
The InChIKey is FDBLLBUVZHFULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-8-6-7-11-17(13,12-18)19-16(20)15(21-2)14-9-4-3-5-10-14/h3-5,9-10,13,15H,6-8,11-12,18H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-methoxy-2-phenylacetamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-methoxy-2-phenylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 115308431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).