2-amino-N-[2-[4-[(dimethylamino)methyl]anilino]-2-oxoethyl]acetamide

C13H20N4O2 — CID 54928469

IUPAC2-amino-N-[2-[4-[(dimethylamino)methyl]anilino]-2-oxoethyl]acetamide
SMILESCN(C)Cc1ccc(NC(=O)CNC(=O)CN)cc1
InChIInChI=1S/C13H20N4O2/c1-17(2)9-10-3-5-11(6-4-10)16-13(19)8-15-12(18)7-14/h3-6H,7-9,14H2,1-2H3,(H,15,18)(H,16,19)
InChIKeySMPKUVJJWGICRY-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.24
Rot. Bonds6

About 2-amino-N-[2-[4-[(dimethylamino)methyl]anilino]-2-oxoethyl]acetamide

2-amino-N-[2-[4-[(dimethylamino)methyl]anilino]-2-oxoethyl]acetamide (PubChem CID 54928469) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-amino-N-[2-[4-[(dimethylamino)methyl]anilino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[4-[(dimethylamino)methyl]anilino]-2-oxoethyl]acetamide
PubChem CID54928469
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-amino-N-[2-[4-[(dimethylamino)methyl]anilino]-2-oxoethyl]acetamide
SMILESCN(C)Cc1ccc(NC(=O)CNC(=O)CN)cc1
InChIInChI=1S/C13H20N4O2/c1-17(2)9-10-3-5-11(6-4-10)16-13(19)8-15-12(18)7-14/h3-6H,7-9,14H2,1-2H3,(H,15,18)(H,16,19)
InChIKeySMPKUVJJWGICRY-UHFFFAOYSA-N
XLogP-0.24
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(dimethylamino)methyl]anilino]-4-oxobutanoic acid
CID 54868215
2-amino-N-[2-[[6-(dimethylamino)-3-pyridinyl]amino]-2-oxoethyl]acetamide
CID 54928218
2-amino-N-[2-(4-ethenylanilino)-2-oxoethyl]acetamide
CID 143732888
2-amino-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]acetamide
CID 60848088
2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-2-ethylbutanamide
CID 115431890
2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide
CID 54862720
2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide
CID 60848808
2-amino-N-[4-[(dimethylamino)methyl]phenyl]-2-methylpropanamide
CID 61265996
(2S)-2-amino-N-[4-[(dimethylamino)methyl]phenyl]propanamide
CID 61146186
2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride
CID 119853176
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide
CID 83624401
N-[4-[(dimethylamino)methyl]phenyl]-3-(ethylamino)propanamide
CID 62833947

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[4-[(dimethylamino)methyl]anilino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[4-[(dimethylamino)methyl]anilino]-2-oxoethyl]acetamide (CID 54928469) is 2-amino-N-[2-[4-[(dimethylamino)methyl]anilino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[4-[(dimethylamino)methyl]anilino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[4-[(dimethylamino)methyl]anilino]-2-oxoethyl]acetamide is CN(C)Cc1ccc(NC(=O)CNC(=O)CN)cc1.
What is the InChIKey of 2-amino-N-[2-[4-[(dimethylamino)methyl]anilino]-2-oxoethyl]acetamide?
The InChIKey is SMPKUVJJWGICRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-17(2)9-10-3-5-11(6-4-10)16-13(19)8-15-12(18)7-14/h3-6H,7-9,14H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of 2-amino-N-[2-[4-[(dimethylamino)methyl]anilino]-2-oxoethyl]acetamide?
2-amino-N-[2-[4-[(dimethylamino)methyl]anilino]-2-oxoethyl]acetamide has a molecular weight of 264.33 g/mol, XLogP of -0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[4-[(dimethylamino)methyl]anilino]-2-oxoethyl]acetamide is sourced from PubChem (CID 54928469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).