3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide

C12H17BrN2O — CID 64678020

IUPAC3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-12(2,14)7-11(16)15-8-9-4-3-5-10(13)6-9/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyMQWYYMFQWPKMFU-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.19
Rot. Bonds4

About 3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide

3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide (PubChem CID 64678020) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide
PubChem CID64678020
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-12(2,14)7-11(16)15-8-9-4-3-5-10(13)6-9/h3-6H,7-8,14H2,1-2H3,(H,15,16)
InChIKeyMQWYYMFQWPKMFU-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(3-bromophenyl)acetamide
CID 81483325
methyl 3-[(3-bromophenyl)methylamino]-3-oxopropanoate
CID 115174358
N-[(3-bromophenyl)methyl]-2-chloroacetamide
CID 56923497
(3-bromophenyl)methyl 3-amino-3-methylbutanoate
CID 82824054
2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide
CID 61401625
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
N-[(3-bromophenyl)methyl]-4-hydroxypentanamide
CID 79192945
ethyl 4-[(3-bromophenyl)methylamino]-4-oxobutanoate
CID 60739512
N-[(3-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78916794
N-[(3-bromophenyl)methyl]-5-hydroxypentanamide
CID 79209822
3-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbutanamide
CID 64686188
N-[(3-bromophenyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79287243

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide?
The IUPAC name of 3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide (CID 64678020) is 3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide?
The canonical SMILES for 3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide is CC(C)(N)CC(=O)NCc1cccc(Br)c1.
What is the InChIKey of 3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide?
The InChIKey is MQWYYMFQWPKMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-12(2,14)7-11(16)15-8-9-4-3-5-10(13)6-9/h3-6H,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide?
3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide has a molecular weight of 285.19 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 64678020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).