3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide

C13H19BrN2O — CID 113416387

IUPAC3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C13H19BrN2O/c1-8(9(2)15)13(17)16-10(3)11-6-4-5-7-12(11)14/h4-10H,15H2,1-3H3,(H,16,17)/t8?,9?,10-/m0/s1
InChIKeyFAIICBBRJMKJMQ-RTBKNWGFSA-N
MW299.21 g/mol
LogP2.61
Rot. Bonds4

About 3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide

3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide (PubChem CID 113416387) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide
PubChem CID113416387
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C13H19BrN2O/c1-8(9(2)15)13(17)16-10(3)11-6-4-5-7-12(11)14/h4-10H,15H2,1-3H3,(H,16,17)/t8?,9?,10-/m0/s1
InChIKeyFAIICBBRJMKJMQ-RTBKNWGFSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide
CID 81397158
N-[(1R)-1-(2-bromophenyl)ethyl]-2,2-difluoroacetamide
CID 103515890
2-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]-3-methylbutanamide
CID 81383036
2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride
CID 119269427
2-amino-N-[1-(2-bromophenyl)ethyl]-3-phenylpropanamide
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2-amino-N-[1-(2-bromophenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983408
N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79195760
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 65464635
N-[(1S)-1-(2-bromophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 81397513
(2S)-2-amino-N-[2-[1-(2-bromophenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 82963456
2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784075

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide (CID 113416387) is 3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide is CC(N)C(C)C(=O)N[C@@H](C)c1ccccc1Br.
What is the InChIKey of 3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide?
The InChIKey is FAIICBBRJMKJMQ-RTBKNWGFSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-8(9(2)15)13(17)16-10(3)11-6-4-5-7-12(11)14/h4-10H,15H2,1-3H3,(H,16,17)/t8?,9?,10-/m0/s1.
What are the key properties of 3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide?
3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide has a molecular weight of 299.21 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1S)-1-(2-bromophenyl)ethyl]-2-methylbutanamide is sourced from PubChem (CID 113416387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).