2-[2-(dimethylamino)-N-formyl-4-propan-2-ylanilino]-N-methyl-5-oxopentanamide

C18H27N3O3 — CID 170749504

IUPAC2-[2-(dimethylamino)-N-formyl-4-propan-2-ylanilino]-N-methyl-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N(C=O)c1ccc(C(C)C)cc1N(C)C
InChIInChI=1S/C18H27N3O3/c1-13(2)14-8-9-15(17(11-14)20(4)5)21(12-23)16(7-6-10-22)18(24)19-3/h8-13,16H,6-7H2,1-5H3,(H,19,24)
InChIKeyJWMMYDZZAAQERW-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.93
Rot. Bonds9

About 2-[2-(dimethylamino)-N-formyl-4-propan-2-ylanilino]-N-methyl-5-oxopentanamide

2-[2-(dimethylamino)-N-formyl-4-propan-2-ylanilino]-N-methyl-5-oxopentanamide (PubChem CID 170749504) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-N-formyl-4-propan-2-ylanilino]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-N-formyl-4-propan-2-ylanilino]-N-methyl-5-oxopentanamide
PubChem CID170749504
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-[2-(dimethylamino)-N-formyl-4-propan-2-ylanilino]-N-methyl-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N(C=O)c1ccc(C(C)C)cc1N(C)C
InChIInChI=1S/C18H27N3O3/c1-13(2)14-8-9-15(17(11-14)20(4)5)21(12-23)16(7-6-10-22)18(24)19-3/h8-13,16H,6-7H2,1-5H3,(H,19,24)
InChIKeyJWMMYDZZAAQERW-UHFFFAOYSA-N
XLogP1.93
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-Ammonio-N-(Trifluoroacetyl)-L-Norleucyl-N-[4-(1-Methylethyl)phenyl]-L-Prolinamide
CID 445368
6-Ammonio-N-(Trifluoroacetyl)-L-Norleucyl-N-[4-(1-Methylethyl)phenyl]-L-Leucinamide
CID 445369
(2S,3S)-3-(4-acetamidophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium
CID 23647706
Nalpha-{(2e)-3-[4-(Dimethylamino)phenyl]prop-2-Enoyl}-N-{(2s)-1-Oxo-3-[(3s)-2-Oxopyrrolidin-3-Yl]propan-2-Yl}-L-Phenylalaninamide
CID 44578236
N-(2-phenylethyl)-N'-[4-(propan-2-yl)phenyl]pentanediamide
CID 3254185
4-Methyl-2-(4''''-piperazin-1-yl-biphenyl-3-ylamino)-pentanoic acid cyanomethyl-amide
CID 10179450
(2S)-2-[[(2S)-2-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-3-methylbutanoyl]amino]-4-methyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]pentanamide
CID 162515896
2-m-Tolylcarbamoyl-pyrrolidine-1-carboxylic acid isobutyl ester
CID 651520
1-[2-Oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 24819267
N-{1-[(3-ethylphenyl)amino]-3-methyl-1-oxobutan-2-yl}cyclohexanecarboxamide
CID 4232813
1-acetyl-N-[2-amino-5-(4-fluorophenyl)phenyl]piperidine-4-carboxamide
CID 89183109
(S)-N-(3,5-Dimethylphenyl)-3-methyl-2-(N-formyl-N-methylamino)butanamide
CID 11402790

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-N-formyl-4-propan-2-ylanilino]-N-methyl-5-oxopentanamide?
The IUPAC name of 2-[2-(dimethylamino)-N-formyl-4-propan-2-ylanilino]-N-methyl-5-oxopentanamide (CID 170749504) is 2-[2-(dimethylamino)-N-formyl-4-propan-2-ylanilino]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 2-[2-(dimethylamino)-N-formyl-4-propan-2-ylanilino]-N-methyl-5-oxopentanamide?
The canonical SMILES for 2-[2-(dimethylamino)-N-formyl-4-propan-2-ylanilino]-N-methyl-5-oxopentanamide is CNC(=O)C(CCC=O)N(C=O)c1ccc(C(C)C)cc1N(C)C.
What is the InChIKey of 2-[2-(dimethylamino)-N-formyl-4-propan-2-ylanilino]-N-methyl-5-oxopentanamide?
The InChIKey is JWMMYDZZAAQERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13(2)14-8-9-15(17(11-14)20(4)5)21(12-23)16(7-6-10-22)18(24)19-3/h8-13,16H,6-7H2,1-5H3,(H,19,24).
What are the key properties of 2-[2-(dimethylamino)-N-formyl-4-propan-2-ylanilino]-N-methyl-5-oxopentanamide?
2-[2-(dimethylamino)-N-formyl-4-propan-2-ylanilino]-N-methyl-5-oxopentanamide has a molecular weight of 333.43 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-N-formyl-4-propan-2-ylanilino]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 170749504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).