3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide

C17H26N2O — CID 107398357

IUPAC3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide
SMILESCCN(CC1CCC1)C(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-3-19(12-14-8-7-9-14)17(20)13(2)16(18)15-10-5-4-6-11-15/h4-6,10-11,13-14,16H,3,7-9,12,18H2,1-2H3
InChIKeyBEAKZRILNAIIQY-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.97
Rot. Bonds6

About 3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide

3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide (PubChem CID 107398357) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide
PubChem CID107398357
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide
SMILESCCN(CC1CCC1)C(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-3-19(12-14-8-7-9-14)17(20)13(2)16(18)15-10-5-4-6-11-15/h4-6,10-11,13-14,16H,3,7-9,12,18H2,1-2H3
InChIKeyBEAKZRILNAIIQY-UHFFFAOYSA-N
XLogP2.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(cyclobutylmethyl)-N-ethyl-2-phenylacetamide
CID 107398345
3-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119750532
3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119737873
(2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide
CID 107398372
3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 80552105
2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide
CID 107396898
3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 80552219
3-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)-3-phenylpropanamide
CID 80551191
(2R)-2-amino-N-(cyclopropylmethyl)-N-ethyl-3-phenylpropanamide
CID 78954609
N'-(cyclobutylmethyl)-N'-ethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 107399437
2-amino-N-(cyclobutylmethyl)-N-ethyl-2-thiophen-2-ylacetamide
CID 107398508
(2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride
CID 119305505

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide (CID 107398357) is 3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide is CCN(CC1CCC1)C(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide?
The InChIKey is BEAKZRILNAIIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-19(12-14-8-7-9-14)17(20)13(2)16(18)15-10-5-4-6-11-15/h4-6,10-11,13-14,16H,3,7-9,12,18H2,1-2H3.
What are the key properties of 3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide?
3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 107398357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).