2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide

C14H21BrN2O — CID 81382464

IUPAC2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-10(2)8-17-14(18)9-16-11(3)12-5-4-6-13(15)7-12/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)/t11-/m1/s1
InChIKeyLTYGGDNPMMHOKE-LLVKDONJSA-N
MW313.24 g/mol
LogP2.87
Rot. Bonds6

About 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide

2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide (PubChem CID 81382464) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
PubChem CID81382464
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN[C@H](C)c1cccc(Br)c1
InChIInChI=1S/C14H21BrN2O/c1-10(2)8-17-14(18)9-16-11(3)12-5-4-6-13(15)7-12/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)/t11-/m1/s1
InChIKeyLTYGGDNPMMHOKE-LLVKDONJSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3-bromophenyl)ethylamino]-N-ethylacetamide
CID 43566934
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 81376466
N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842363
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
CID 81373699
2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-N-(2-methylpropyl)acetamide
CID 115900197
2-[1-(4-tert-butylphenyl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115663692
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81382580
ethyl 2-[[(1S)-1-(3-bromophenyl)ethyl]amino]acetate
CID 81382026
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
N-[(1R)-1-(3-bromophenyl)ethyl]-2-chloroprop-2-en-1-amine
CID 81382108
methyl 3-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-methylpropanoate
CID 81381770
2-amino-3-[[(1R)-1-(3-bromophenyl)ethyl]amino]propanoic acid
CID 103257311

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide (CID 81382464) is 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN[C@H](C)c1cccc(Br)c1.
What is the InChIKey of 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide?
The InChIKey is LTYGGDNPMMHOKE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10(2)8-17-14(18)9-16-11(3)12-5-4-6-13(15)7-12/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)/t11-/m1/s1.
What are the key properties of 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide?
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide has a molecular weight of 313.24 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 81382464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).