3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide

C12H16BrN3O2 — CID 119312307

IUPAC3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide
SMILESCc1ccc(Br)cc1NC(=O)CCNC(=O)CN
InChIInChI=1S/C12H16BrN3O2/c1-8-2-3-9(13)6-10(8)16-11(17)4-5-15-12(18)7-14/h2-3,6H,4-5,7,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyPXKYGZFDTDPUEY-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.16
Rot. Bonds5

About 3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide

3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide (PubChem CID 119312307) has the molecular formula C12H16BrN3O2 and a molecular weight of 314.18 g/mol. Its IUPAC name is 3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide
PubChem CID119312307
Molecular FormulaC12H16BrN3O2
Molecular Weight314.18 g/mol
Exact Mass313.04
IUPAC Name3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide
SMILESCc1ccc(Br)cc1NC(=O)CCNC(=O)CN
InChIInChI=1S/C12H16BrN3O2/c1-8-2-3-9(13)6-10(8)16-11(17)4-5-15-12(18)7-14/h2-3,6H,4-5,7,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyPXKYGZFDTDPUEY-UHFFFAOYSA-N
XLogP1.16
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-(methylamino)butanamide;hydrochloride
CID 119764217
(2R)-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-2-methylbutanamide
CID 94819863
N-(5-bromo-2-methylphenyl)butanamide
CID 43806329
(2S)-2-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-4-methylpentanamide
CID 119764254
N-(5-bromo-2-methylphenyl)-3-(propan-2-ylamino)propanamide
CID 60852007
1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 119312323
N-(5-bromo-2-methylphenyl)-4-chlorobutanamide
CID 63307861
N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-3-pyridin-2-ylpropanamide
CID 60610354
3-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119764222
N-(5-bromo-2-methylphenyl)-3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]propanamide
CID 111094253
N-(5-bromo-2-methylphenyl)-3-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]propanamide
CID 111870527
3-[(N-benzyl-N'-methylcarbamimidoyl)amino]-N-(5-bromo-2-methylphenyl)propanamide
CID 110953780

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide?
The IUPAC name of 3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide (CID 119312307) is 3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide?
The canonical SMILES for 3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide is Cc1ccc(Br)cc1NC(=O)CCNC(=O)CN.
What is the InChIKey of 3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide?
The InChIKey is PXKYGZFDTDPUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O2/c1-8-2-3-9(13)6-10(8)16-11(17)4-5-15-12(18)7-14/h2-3,6H,4-5,7,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide?
3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide has a molecular weight of 314.18 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide is sourced from PubChem (CID 119312307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).