2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide

C12H17N3O2 — CID 60848808

IUPAC2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide
SMILESCc1cc(C)cc(NC(=O)CNC(=O)CN)c1
InChIInChI=1S/C12H17N3O2/c1-8-3-9(2)5-10(4-8)15-12(17)7-14-11(16)6-13/h3-5H,6-7,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyISHAWRPPOLGSMW-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.32
Rot. Bonds4

About 2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide

2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide (PubChem CID 60848808) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide
PubChem CID60848808
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide
SMILESCc1cc(C)cc(NC(=O)CNC(=O)CN)c1
InChIInChI=1S/C12H17N3O2/c1-8-3-9(2)5-10(4-8)15-12(17)7-14-11(16)6-13/h3-5H,6-7,13H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyISHAWRPPOLGSMW-UHFFFAOYSA-N
XLogP0.32
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 54928059
N-(3,5-dimethylphenyl)-2-(ethylamino)acetamide
CID 54820628
methyl N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]carbamate
CID 60927446
2-amino-N-(4-bromo-3,5-dimethylphenyl)acetamide
CID 107574130
2-amino-N-[2-[3-[(4-methylphenyl)methyl]anilino]-2-oxoethyl]acetamide
CID 166762755
N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide
CID 60847975
methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]benzoate
CID 61254044
N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]-2-methylpropanamide
CID 60851547
3-amino-N-(3,5-dimethylphenyl)butanamide
CID 60836814
N-[2-(3,5-dimethylanilino)-2-oxoethyl]-4-fluorobenzamide
CID 26696338
2-amino-N-[2-[4-[(dimethylamino)methyl]anilino]-2-oxoethyl]acetamide
CID 54928469
2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide
CID 54862720

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide (CID 60848808) is 2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide is Cc1cc(C)cc(NC(=O)CNC(=O)CN)c1.
What is the InChIKey of 2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide?
The InChIKey is ISHAWRPPOLGSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-3-9(2)5-10(4-8)15-12(17)7-14-11(16)6-13/h3-5H,6-7,13H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide?
2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide has a molecular weight of 235.29 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 60848808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).