2,2-dimethyl-N-[4-(2-methylanilino)-4-oxobutyl]propanamide

C16H24N2O2 — CID 32688592

IUPAC2,2-dimethyl-N-[4-(2-methylanilino)-4-oxobutyl]propanamide
SMILESCc1ccccc1NC(=O)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-12-8-5-6-9-13(12)18-14(19)10-7-11-17-15(20)16(2,3)4/h5-6,8-9H,7,10-11H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyLDEDLTDCZSQDNL-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.88
Rot. Bonds5

About 2,2-dimethyl-N-[4-(2-methylanilino)-4-oxobutyl]propanamide

2,2-dimethyl-N-[4-(2-methylanilino)-4-oxobutyl]propanamide (PubChem CID 32688592) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(2-methylanilino)-4-oxobutyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(2-methylanilino)-4-oxobutyl]propanamide
PubChem CID32688592
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2,2-dimethyl-N-[4-(2-methylanilino)-4-oxobutyl]propanamide
SMILESCc1ccccc1NC(=O)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-12-8-5-6-9-13(12)18-14(19)10-7-11-17-15(20)16(2,3)4/h5-6,8-9H,7,10-11H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyLDEDLTDCZSQDNL-UHFFFAOYSA-N
XLogP2.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-aminoanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 119422393
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
N-[3-(2,6-dimethylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 18155095
11-bromo-N-(2-methylphenyl)undecanamide
CID 51058287
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
N'-(2-methylphenyl)-N-prop-2-enylbutanediamide
CID 571935
2-[[4-(2-methylanilino)-4-oxobutanoyl]amino]acetic acid
CID 82042572
N-(2-methylphenyl)-3-(pentylamino)propanamide
CID 109032228
2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide
CID 34080191
N-[4-[[(R)-(3,4-dimethylphenyl)-phenylmethyl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 32576772
N-[4-[4-(2-methoxyphenoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 32765837

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(2-methylanilino)-4-oxobutyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(2-methylanilino)-4-oxobutyl]propanamide (CID 32688592) is 2,2-dimethyl-N-[4-(2-methylanilino)-4-oxobutyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(2-methylanilino)-4-oxobutyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(2-methylanilino)-4-oxobutyl]propanamide is Cc1ccccc1NC(=O)CCCNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[4-(2-methylanilino)-4-oxobutyl]propanamide?
The InChIKey is LDEDLTDCZSQDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-8-5-6-9-13(12)18-14(19)10-7-11-17-15(20)16(2,3)4/h5-6,8-9H,7,10-11H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 2,2-dimethyl-N-[4-(2-methylanilino)-4-oxobutyl]propanamide?
2,2-dimethyl-N-[4-(2-methylanilino)-4-oxobutyl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(2-methylanilino)-4-oxobutyl]propanamide is sourced from PubChem (CID 32688592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).