2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide

C15H22N4O3 — CID 131890191

IUPAC2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide
SMILESCC(=O)NCC(=O)Nc1ccc(C)c(NC(=O)CN(C)C)c1
InChIInChI=1S/C15H22N4O3/c1-10-5-6-12(17-14(21)8-16-11(2)20)7-13(10)18-15(22)9-19(3)4/h5-7H,8-9H2,1-4H3,(H,16,20)(H,17,21)(H,18,22)
InChIKeyLEZBLRUZWQONJK-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.57
Rot. Bonds6

About 2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide

2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide (PubChem CID 131890191) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide
PubChem CID131890191
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide
SMILESCC(=O)NCC(=O)Nc1ccc(C)c(NC(=O)CN(C)C)c1
InChIInChI=1S/C15H22N4O3/c1-10-5-6-12(17-14(21)8-16-11(2)20)7-13(10)18-15(22)9-19(3)4/h5-7H,8-9H2,1-4H3,(H,16,20)(H,17,21)(H,18,22)
InChIKeyLEZBLRUZWQONJK-UHFFFAOYSA-N
XLogP0.57
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(carbamothioylamino)-4-methylphenyl]-2-(dimethylamino)acetamide
CID 169356345
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide
CID 131911889
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 131952793
5-[(2-acetamidoacetyl)amino]-2-methylbenzoic acid
CID 63653680
2-(dimethylamino)-N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]phenyl]acetamide
CID 118764190
N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 131938414
N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
3-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-4-methylbenzoic acid
CID 119219462
N-(5-acetamido-2-methylphenyl)-3-methylbutanamide
CID 47191002
N-[5-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]quinoxaline-2-carboxamide
CID 131912464
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-fluoro-6-methoxybenzamide
CID 131933648
2-(dimethylamino)-N-[5-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]amino]-2-methylphenyl]acetamide
CID 118762994

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide?
The IUPAC name of 2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide (CID 131890191) is 2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide?
The canonical SMILES for 2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide is CC(=O)NCC(=O)Nc1ccc(C)c(NC(=O)CN(C)C)c1.
What is the InChIKey of 2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide?
The InChIKey is LEZBLRUZWQONJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10-5-6-12(17-14(21)8-16-11(2)20)7-13(10)18-15(22)9-19(3)4/h5-7H,8-9H2,1-4H3,(H,16,20)(H,17,21)(H,18,22).
What are the key properties of 2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide?
2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide has a molecular weight of 306.37 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide is sourced from PubChem (CID 131890191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).