N-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide

C12H18N4O2 — CID 113297775

IUPACN-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide
SMILESCc1ccc(NCC(=O)NC(N)=O)cc1N(C)C
InChIInChI=1S/C12H18N4O2/c1-8-4-5-9(6-10(8)16(2)3)14-7-11(17)15-12(13)18/h4-6,14H,7H2,1-3H3,(H3,13,15,17,18)
InChIKeyVNOGFYPLAIUZJS-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.67
Rot. Bonds4

About N-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide

N-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide (PubChem CID 113297775) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide
PubChem CID113297775
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide
SMILESCc1ccc(NCC(=O)NC(N)=O)cc1N(C)C
InChIInChI=1S/C12H18N4O2/c1-8-4-5-9(6-10(8)16(2)3)14-7-11(17)15-12(13)18/h4-6,14H,7H2,1-3H3,(H3,13,15,17,18)
InChIKeyVNOGFYPLAIUZJS-UHFFFAOYSA-N
XLogP0.67
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylpropyl)acetamide
CID 115378145
2-[3-(dimethylamino)-4-methylanilino]-N-(2-methylbutan-2-yl)acetamide
CID 115378141
N-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide
CID 115378318
1-N-[(E)-3-chloro-2-methylprop-2-enyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 106437984
methyl 3-[3-(dimethylamino)-4-methylanilino]-2-methylpropanoate
CID 113297784
2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol
CID 113297783
2-[3-(dimethylamino)-4-methylanilino]butanamide
CID 113297760
2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
CID 115377322
3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide
CID 113218880
N-[3-(dimethylamino)-4-methylphenyl]-2,2-dimethylpropanamide
CID 115379519
N-carbamoyl-2-(4-fluoro-3-methoxyanilino)acetamide
CID 114839602
2-(4-bromo-3-methoxyanilino)-N-carbamoylacetamide
CID 79493197

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide?
The IUPAC name of N-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide (CID 113297775) is N-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide.
What is the SMILES notation for N-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide?
The canonical SMILES for N-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide is Cc1ccc(NCC(=O)NC(N)=O)cc1N(C)C.
What is the InChIKey of N-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide?
The InChIKey is VNOGFYPLAIUZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-4-5-9(6-10(8)16(2)3)14-7-11(17)15-12(13)18/h4-6,14H,7H2,1-3H3,(H3,13,15,17,18).
What are the key properties of N-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide?
N-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide has a molecular weight of 250.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[3-(dimethylamino)-4-methylanilino]acetamide is sourced from PubChem (CID 113297775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).