3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methyl-3-phenylpropanamide

C18H29N3O — CID 119878746

IUPAC3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NCCN(C)C1CCCC1)C(N)c1ccccc1
InChIInChI=1S/C18H29N3O/c1-14(17(19)15-8-4-3-5-9-15)18(22)20-12-13-21(2)16-10-6-7-11-16/h3-5,8-9,14,16-17H,6-7,10-13,19H2,1-2H3,(H,20,22)
InChIKeyLHMCBCYSMDTYKX-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.31
Rot. Bonds7

About 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methyl-3-phenylpropanamide

3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methyl-3-phenylpropanamide (PubChem CID 119878746) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methyl-3-phenylpropanamide
PubChem CID119878746
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methyl-3-phenylpropanamide
SMILESCC(C(=O)NCCN(C)C1CCCC1)C(N)c1ccccc1
InChIInChI=1S/C18H29N3O/c1-14(17(19)15-8-4-3-5-9-15)18(22)20-12-13-21(2)16-10-6-7-11-16/h3-5,8-9,14,16-17H,6-7,10-13,19H2,1-2H3,(H,20,22)
InChIKeyLHMCBCYSMDTYKX-UHFFFAOYSA-N
XLogP2.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide
CID 106135106
3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide
CID 119723102
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953402
(2R)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-phenylpropanamide
CID 78919866
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide
CID 63316290
3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide
CID 80552136
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride
CID 120503009
3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119861809
2-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]propanamide
CID 63315824
3-amino-2-methyl-3-phenyl-N-prop-2-enylpropanamide
CID 80551795
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methyl-3-phenylpropanamide (CID 119878746) is 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methyl-3-phenylpropanamide is CC(C(=O)NCCN(C)C1CCCC1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methyl-3-phenylpropanamide?
The InChIKey is LHMCBCYSMDTYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-14(17(19)15-8-4-3-5-9-15)18(22)20-12-13-21(2)16-10-6-7-11-16/h3-5,8-9,14,16-17H,6-7,10-13,19H2,1-2H3,(H,20,22).
What are the key properties of 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methyl-3-phenylpropanamide has a molecular weight of 303.45 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119878746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).