2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide

C14H22N2O2 — CID 54986482

IUPAC2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1ccc(CO)cc1
InChIInChI=1S/C14H22N2O2/c1-4-16(9-14(18)15-11(2)3)13-7-5-12(10-17)6-8-13/h5-8,11,17H,4,9-10H2,1-3H3,(H,15,18)
InChIKeyKOHHBRUUUJUNIL-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.53
Rot. Bonds6

About 2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide

2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide (PubChem CID 54986482) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
PubChem CID54986482
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1ccc(CO)cc1
InChIInChI=1S/C14H22N2O2/c1-4-16(9-14(18)15-11(2)3)13-7-5-12(10-17)6-8-13/h5-8,11,17H,4,9-10H2,1-3H3,(H,15,18)
InChIKeyKOHHBRUUUJUNIL-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80632069
2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide
CID 104528602
2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide
CID 115366775
2-[ethyl-[6-(1-hydroxypropyl)-3-pyridinyl]amino]-N-propan-2-ylacetamide
CID 115940411
2-(3-chloro-N-ethyl-4-formylanilino)-N-propan-2-ylacetamide
CID 114064086
2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide
CID 115367320
2-[4-(aminomethyl)-N-ethylanilino]-N-(1-methoxypropan-2-yl)acetamide
CID 61488230
2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
CID 54986481
2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 113154143
3-[4-(dimethylamino)phenyl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 24555346
2-[N-(3-aminopropyl)-4-methylanilino]-N-propan-2-ylacetamide
CID 43318743
5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
CID 18155632

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide (CID 54986482) is 2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1ccc(CO)cc1.
What is the InChIKey of 2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide?
The InChIKey is KOHHBRUUUJUNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16(9-14(18)15-11(2)3)13-7-5-12(10-17)6-8-13/h5-8,11,17H,4,9-10H2,1-3H3,(H,15,18).
What are the key properties of 2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide?
2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide has a molecular weight of 250.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide is sourced from PubChem (CID 54986482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).