N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide

C17H26N2O — CID 106123888

IUPACN-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NCC1CCCC(N)C1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-17(2,14-8-4-3-5-9-14)16(20)19-12-13-7-6-10-15(18)11-13/h3-5,8-9,13,15H,6-7,10-12,18H2,1-2H3,(H,19,20)
InChIKeyJSXMJCVKJRRDBL-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.60
Rot. Bonds4

About N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide

N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide (PubChem CID 106123888) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide
PubChem CID106123888
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NCC1CCCC(N)C1)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-17(2,14-8-4-3-5-9-14)16(20)19-12-13-7-6-10-15(18)11-13/h3-5,8-9,13,15H,6-7,10-12,18H2,1-2H3,(H,19,20)
InChIKeyJSXMJCVKJRRDBL-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106135154
N-[(3-aminocyclohexyl)methyl]-2-methoxy-2-methylpropanamide
CID 106123178
2-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119511132
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide
CID 110025506
N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide
CID 106123073
N-(4-aminocyclohexyl)-2-methyl-2-phenylpropanamide
CID 43653066
N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 106123070
N-[(3-aminocyclohexyl)methyl]-2,4,6-trimethylbenzamide
CID 106123345
N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide
CID 109379723
N-[(3-aminocyclohexyl)methyl]-3-hydroxy-2-methylbenzamide
CID 106123416
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-2-phenylpropanamide
CID 115307744
N-[(3-aminocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 106123823

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide (CID 106123888) is N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide is CC(C)(C(=O)NCC1CCCC(N)C1)c1ccccc1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide?
The InChIKey is JSXMJCVKJRRDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,14-8-4-3-5-9-14)16(20)19-12-13-7-6-10-15(18)11-13/h3-5,8-9,13,15H,6-7,10-12,18H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide?
N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 106123888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).