2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide

C15H24N2O — CID 115432548

IUPAC2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide
SMILESCCC(CC)(CN)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-4-15(5-2,11-16)14(18)17-12(3)13-9-7-6-8-10-13/h6-10,12H,4-5,11,16H2,1-3H3,(H,17,18)/t12-/m0/s1
InChIKeyUBUYFLPODGGAFE-LBPRGKRZSA-N
MW248.37 g/mol
LogP2.63
Rot. Bonds6

About 2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide

2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide (PubChem CID 115432548) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide
PubChem CID115432548
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide
SMILESCCC(CC)(CN)C(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-4-15(5-2,11-16)14(18)17-12(3)13-9-7-6-8-10-13/h6-10,12H,4-5,11,16H2,1-3H3,(H,17,18)/t12-/m0/s1
InChIKeyUBUYFLPODGGAFE-LBPRGKRZSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-ethylbutanamide
CID 115432721
2-(aminomethyl)-N-[1-(4-bromophenyl)ethyl]-2-ethylbutanamide
CID 115432411
3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 115426736
2,2-diethyl-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 117062720
2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid
CID 78948228
2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-3-phenylpropanoic acid
CID 115432257
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
(2R)-2-amino-2-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 93340243
(3S)-2,2-difluoro-3-hydroxy-3-phenyl-N-[(1S)-1-phenylethyl]pentanamide
CID 57381743
2,2,3,3,3-pentafluoro-N-(1-phenylethyl)propanamide
CID 4153379
3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
CID 65264623
2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide
CID 14877204

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide (CID 115432548) is 2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide is CCC(CC)(CN)C(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide?
The InChIKey is UBUYFLPODGGAFE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-15(5-2,11-16)14(18)17-12(3)13-9-7-6-8-10-13/h6-10,12H,4-5,11,16H2,1-3H3,(H,17,18)/t12-/m0/s1.
What are the key properties of 2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide?
2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide is sourced from PubChem (CID 115432548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).