N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C18H24N4O3 — CID 131952793

IUPACN-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2c(C)noc2C)cc1NC(=O)CN(C)C
InChIInChI=1S/C18H24N4O3/c1-11-6-7-14(8-16(11)20-18(24)10-22(4)5)19-17(23)9-15-12(2)21-25-13(15)3/h6-8H,9-10H2,1-5H3,(H,19,23)(H,20,24)
InChIKeyAIPPSMNQFHVYQO-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.28
Rot. Bonds6

About N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 131952793) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID131952793
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1ccc(NC(=O)Cc2c(C)noc2C)cc1NC(=O)CN(C)C
InChIInChI=1S/C18H24N4O3/c1-11-6-7-14(8-16(11)20-18(24)10-22(4)5)19-17(23)9-15-12(2)21-25-13(15)3/h6-8H,9-10H2,1-5H3,(H,19,23)(H,20,24)
InChIKeyAIPPSMNQFHVYQO-UHFFFAOYSA-N
XLogP2.28
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30275732
methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylbenzoate
CID 17417015
2-acetamido-N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]acetamide
CID 131890191
N-[3-(carbamothioylamino)-4-methylphenyl]-2-(dimethylamino)acetamide
CID 169356345
N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide
CID 43739641
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]acetamide
CID 164641742
N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylcarbamoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55742389
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 55680304
2-(dimethylamino)-N-[5-[[ethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl]amino]-2-methylphenyl]acetamide
CID 74248283
N-(3-cyanophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 17425777
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429579
ethyl 4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzoate
CID 17488167

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 131952793) is N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1ccc(NC(=O)Cc2c(C)noc2C)cc1NC(=O)CN(C)C.
What is the InChIKey of N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is AIPPSMNQFHVYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11-6-7-14(8-16(11)20-18(24)10-22(4)5)19-17(23)9-15-12(2)21-25-13(15)3/h6-8H,9-10H2,1-5H3,(H,19,23)(H,20,24).
What are the key properties of N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 344.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 131952793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).