3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide

C19H30N2O2 — CID 119723102

IUPAC3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide
SMILESCC1CCCCC1OCCNC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C19H30N2O2/c1-14-8-6-7-11-17(14)23-13-12-21-19(22)15(2)18(20)16-9-4-3-5-10-16/h3-5,9-10,14-15,17-18H,6-8,11-13,20H2,1-2H3,(H,21,22)
InChIKeyCRQAAEITEBTIPZ-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.03
Rot. Bonds7

About 3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide

3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide (PubChem CID 119723102) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide
PubChem CID119723102
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide
SMILESCC1CCCCC1OCCNC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C19H30N2O2/c1-14-8-6-7-11-17(14)23-13-12-21-19(22)15(2)18(20)16-9-4-3-5-10-16/h3-5,9-10,14-15,17-18H,6-8,11-13,20H2,1-2H3,(H,21,22)
InChIKeyCRQAAEITEBTIPZ-UHFFFAOYSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylurea
CID 47034652
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methyl-3-phenylpropanamide
CID 119878746
3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119676490
2-amino-N-(2-cycloheptyloxyethyl)-2-phenylacetamide;hydrochloride
CID 119325370
3-amino-2-methyl-N-[3-(2-methylpropoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119693609
2-amino-N-[2-(2-methylcyclohexyl)ethyl]-2-phenylacetamide
CID 119323339
2-(2-methoxyphenyl)-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]acetamide
CID 51948594
1-(2-fluorophenyl)-3-[2-(2-methylcyclohexyl)oxyethyl]urea
CID 47034705
3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide
CID 115737917
3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide
CID 119812709
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methyl-3-phenylpropanamide
CID 115738057
3-(2-methylcyclohexyl)oxy-1-phenylpropan-1-ol
CID 116693317

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide (CID 119723102) is 3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide is CC1CCCCC1OCCNC(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide?
The InChIKey is CRQAAEITEBTIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14-8-6-7-11-17(14)23-13-12-21-19(22)15(2)18(20)16-9-4-3-5-10-16/h3-5,9-10,14-15,17-18H,6-8,11-13,20H2,1-2H3,(H,21,22).
What are the key properties of 3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide?
3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide has a molecular weight of 318.46 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide is sourced from PubChem (CID 119723102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).