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

C17H26N2O2 — CID 34080191

IUPAC2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide
SMILESCc1ccc(CNC(=O)CCCNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-13-7-9-14(10-8-13)12-19-15(20)6-5-11-18-16(21)17(2,3)4/h7-10H,5-6,11-12H2,1-4H3,(H,18,21)(H,19,20)
InChIKeySSKDDYSIFKTRQA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.55
Rot. Bonds6

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

2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide (PubChem CID 34080191) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide
PubChem CID34080191
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide
SMILESCc1ccc(CNC(=O)CCCNC(=O)C(C)(C)C)cc1
InChIInChI=1S/C17H26N2O2/c1-13-7-9-14(10-8-13)12-19-15(20)6-5-11-18-16(21)17(2,3)4/h7-10H,5-6,11-12H2,1-4H3,(H,18,21)(H,19,20)
InChIKeySSKDDYSIFKTRQA-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.55
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-[(3-fluoro-4-methylphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 34316547
2,2-dimethyl-N-[4-oxo-4-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]butyl]propanamide
CID 32758147
N-[4-[(3,4-dimethoxyphenyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 51338440
6-acetamido-N-[(4-methylphenyl)methyl]hexanamide
CID 112763501
5-(carbamoylamino)-N-[(4-methylphenyl)methyl]pentanamide
CID 33239098
N-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60850941
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
2,2-dimethyl-N-[4-oxo-4-(1H-pyrazol-4-ylmethylamino)butyl]propanamide
CID 54897263
2,2-dimethyl-N-[3-(4-methylanilino)propyl]propanamide
CID 10634314
3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019825

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide (CID 34080191) is 2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide is Cc1ccc(CNC(=O)CCCNC(=O)C(C)(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide?
The InChIKey is SSKDDYSIFKTRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-7-9-14(10-8-13)12-19-15(20)6-5-11-18-16(21)17(2,3)4/h7-10H,5-6,11-12H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide?
2,2-dimethyl-N-[4-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.55, 6 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-[(4-methylphenyl)methylamino]-4-oxobutyl]propanamide is sourced from PubChem (CID 34080191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).