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

C14H21BrN2O — CID 81383684

IUPAC3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN[C@@H](C)c1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-10(2)17-14(18)8-9-16-11(3)12-6-4-5-7-13(12)15/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyJOVAGBDVNZIRRA-NSHDSACASA-N
MW313.24 g/mol
LogP3.01
Rot. Bonds6

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

3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-propan-2-ylpropanamide (PubChem CID 81383684) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-propan-2-ylpropanamide
PubChem CID81383684
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN[C@@H](C)c1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-10(2)17-14(18)8-9-16-11(3)12-6-4-5-7-13(12)15/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyJOVAGBDVNZIRRA-NSHDSACASA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylbut-3-en-1-amine
CID 104926848
N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
CID 79205047
2-[[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8913472
N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
CID 79204955
3-[1-(5-bromofuran-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 104653257
3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide
CID 115579678
2-[[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-propan-2-ylacetamide
CID 8792770
2-[1-(2-bromophenyl)ethylamino]-N,N-dimethylacetamide
CID 43214650
N-[(1R)-1-(2-bromophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51644297
2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide
CID 43551890
N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide
CID 81378591
7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide
CID 81396989

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-propan-2-ylpropanamide (CID 81383684) is 3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN[C@@H](C)c1ccccc1Br.
What is the InChIKey of 3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is JOVAGBDVNZIRRA-NSHDSACASA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10(2)17-14(18)8-9-16-11(3)12-6-4-5-7-13(12)15/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)/t11-/m0/s1.
What are the key properties of 3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-propan-2-ylpropanamide?
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 313.24 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 81383684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).