N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,3-dimethylbutanamide

C14H19BrN2O2 — CID 95304362

IUPACN-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-14(2,3)8-11(18)17-12(13(16)19)9-5-4-6-10(15)7-9/h4-7,12H,8H2,1-3H3,(H2,16,19)(H,17,18)/t12-/m1/s1
InChIKeyVMLRHGARGQKLHL-GFCCVEGCSA-N
MW327.22 g/mol
LogP2.53
Rot. Bonds4

About N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,3-dimethylbutanamide

N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,3-dimethylbutanamide (PubChem CID 95304362) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,3-dimethylbutanamide
PubChem CID95304362
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-14(2,3)8-11(18)17-12(13(16)19)9-5-4-6-10(15)7-9/h4-7,12H,8H2,1-3H3,(H2,16,19)(H,17,18)/t12-/m1/s1
InChIKeyVMLRHGARGQKLHL-GFCCVEGCSA-N
XLogP2.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-amino-1-(3-bromophenyl)-2-oxoethyl]-3-methoxypropanamide
CID 120987982
3-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbutanamide
CID 64686188
2-(3-bromophenyl)-2-(propanoylamino)acetic acid
CID 82094115
N-(2-amino-2-oxo-1-phenylethyl)-4-(3-bromophenoxy)butanamide
CID 51308711
2-(3-bromophenyl)-2-(2-methoxyethylamino)acetamide
CID 62540999
N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 94829119
(2S)-2-(3-bromophenyl)-2-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]acetamide
CID 96998138
5-[[(1R)-1-(3-bromophenyl)ethyl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 81372143
N-(3-bromophenyl)-3,3-dimethylbutanamide
CID 842233
4-[[(1S)-1-(3-bromophenyl)ethyl]amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 81371214
4-[1-(3-bromophenyl)ethylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 60941341
(2S)-2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-2-phenylacetamide
CID 35643780

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,3-dimethylbutanamide (CID 95304362) is N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1.
What is the InChIKey of N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,3-dimethylbutanamide?
The InChIKey is VMLRHGARGQKLHL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-14(2,3)8-11(18)17-12(13(16)19)9-5-4-6-10(15)7-9/h4-7,12H,8H2,1-3H3,(H2,16,19)(H,17,18)/t12-/m1/s1.
What are the key properties of N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,3-dimethylbutanamide?
N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,3-dimethylbutanamide has a molecular weight of 327.22 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 95304362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).