N-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide

C13H19BrN2O — CID 61041591

IUPACN-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)N(C)Cc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-10(2)15-8-13(17)16(3)9-11-5-4-6-12(14)7-11/h4-7,10,15H,8-9H2,1-3H3
InChIKeyVEXJTXOUGXFUHO-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.41
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide

N-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide (PubChem CID 61041591) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
PubChem CID61041591
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)N(C)Cc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-10(2)15-8-13(17)16(3)9-11-5-4-6-12(14)7-11/h4-7,10,15H,8-9H2,1-3H3
InChIKeyVEXJTXOUGXFUHO-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 54874125
5-[(3-bromophenyl)methyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 55155222
methyl 4-[(3-bromophenyl)methyl-methylamino]-4-oxobutanoate
CID 94721985
1-[(3-bromophenyl)methyl]-1-methyl-3-propan-2-ylthiourea
CID 115589435
4-[(3-bromophenyl)methyl-methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61040689
N-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide
CID 61416728
2-(butan-2-ylamino)-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 54870401
2-[[(3-bromophenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 61416271
N-[(3-bromophenyl)methyl]-N-methyloctanamide
CID 63531668
N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158337
N-[(4-bromophenyl)methyl]-2-(butan-2-ylamino)-N-methylacetamide
CID 60646795
N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 62690187

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide (CID 61041591) is N-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)N(C)Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide?
The InChIKey is VEXJTXOUGXFUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10(2)15-8-13(17)16(3)9-11-5-4-6-12(14)7-11/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide?
N-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide has a molecular weight of 299.21 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 61041591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).