2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide

C14H22N2O2 — CID 72902135

IUPAC2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(C(=O)NCCCO)N(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-11-5-7-12(8-6-11)13(16(2)3)14(18)15-9-4-10-17/h5-8,13,17H,4,9-10H2,1-3H3,(H,15,18)
InChIKeyUQRCJPMPYWFEHW-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.10
Rot. Bonds6

About 2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide

2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide (PubChem CID 72902135) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide
PubChem CID72902135
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(C(=O)NCCCO)N(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-11-5-7-12(8-6-11)13(16(2)3)14(18)15-9-4-10-17/h5-8,13,17H,4,9-10H2,1-3H3,(H,15,18)
InChIKeyUQRCJPMPYWFEHW-UHFFFAOYSA-N
XLogP1.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.10
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

4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 97269726
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide
CID 97126387
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 97136296
2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide
CID 72904212
(2R)-2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 97200456
N-butyl-2-[methoxy(methyl)amino]-2-(4-methylphenyl)acetamide
CID 11850181
2-(dimethylamino)-N-[(2,6-dimethyl-4-pyridinyl)methyl]-2-(4-methylphenyl)acetamide
CID 72873453
2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide
CID 72891697
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 136829812
2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 72844365
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 97202624
(2R)-2-(dimethylamino)-N-[(2-hydroxy-2-adamantyl)methyl]-2-(4-methylphenyl)acetamide
CID 97153061

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide (CID 72902135) is 2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide is Cc1ccc(C(C(=O)NCCCO)N(C)C)cc1.
What is the InChIKey of 2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide?
The InChIKey is UQRCJPMPYWFEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-5-7-12(8-6-11)13(16(2)3)14(18)15-9-4-10-17/h5-8,13,17H,4,9-10H2,1-3H3,(H,15,18).
What are the key properties of 2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide?
2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 72902135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).