2-(3,4-dimethylanilino)-N-(3-propan-2-yloxypropyl)acetamide

C16H26N2O2 — CID 39378966

IUPAC2-(3,4-dimethylanilino)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1ccc(NCC(=O)NCCCOC(C)C)cc1C
InChIInChI=1S/C16H26N2O2/c1-12(2)20-9-5-8-17-16(19)11-18-15-7-6-13(3)14(4)10-15/h6-7,10,12,18H,5,8-9,11H2,1-4H3,(H,17,19)
InChIKeyBSIFFRQMQRZISV-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.65
Rot. Bonds8

About 2-(3,4-dimethylanilino)-N-(3-propan-2-yloxypropyl)acetamide

2-(3,4-dimethylanilino)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 39378966) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID39378966
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(3,4-dimethylanilino)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1ccc(NCC(=O)NCCCOC(C)C)cc1C
InChIInChI=1S/C16H26N2O2/c1-12(2)20-9-5-8-17-16(19)11-18-15-7-6-13(3)14(4)10-15/h6-7,10,12,18H,5,8-9,11H2,1-4H3,(H,17,19)
InChIKeyBSIFFRQMQRZISV-UHFFFAOYSA-N
XLogP2.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 551256
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(3,4-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 856321
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 2539057
N'-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2883455
N-(3,4-dimethylphenyl)-N'-(tetrahydrofuran-2-ylmethyl)ethanediamide
CID 3136544
2-[3-(diethylamino)propylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 4328626
3-methoxy-N-[2-(3-methoxypropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]propanamide
CID 16191180
2-{[(dimethylamino)sulfonyl]anilino}-N-(3,4-dimethylphenyl)acetamide
CID 1211220
N-cyclohexyl-N'-(4-methylphenyl)ethanediamide
CID 2271538
2-(4-acetylpiperazin-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2523819
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2883500

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(3,4-dimethylanilino)-N-(3-propan-2-yloxypropyl)acetamide (CID 39378966) is 2-(3,4-dimethylanilino)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-N-(3-propan-2-yloxypropyl)acetamide is Cc1ccc(NCC(=O)NCCCOC(C)C)cc1C.
What is the InChIKey of 2-(3,4-dimethylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is BSIFFRQMQRZISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)20-9-5-8-17-16(19)11-18-15-7-6-13(3)14(4)10-15/h6-7,10,12,18H,5,8-9,11H2,1-4H3,(H,17,19).
What are the key properties of 2-(3,4-dimethylanilino)-N-(3-propan-2-yloxypropyl)acetamide?
2-(3,4-dimethylanilino)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 39378966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).