2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide

C14H22N2O2 — CID 111859978

IUPAC2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCCO)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-2-9-15-14(18)12-16(10-6-11-17)13-7-4-3-5-8-13/h3-5,7-8,17H,2,6,9-12H2,1H3,(H,15,18)
InChIKeyPDIPCOWVNQNMAD-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.40
Rot. Bonds8

About 2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide

2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide (PubChem CID 111859978) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide.

Molecular Properties

Compound Name2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide
PubChem CID111859978
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCCO)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-2-9-15-14(18)12-16(10-6-11-17)13-7-4-3-5-8-13/h3-5,7-8,17H,2,6,9-12H2,1H3,(H,15,18)
InChIKeyPDIPCOWVNQNMAD-UHFFFAOYSA-N
XLogP1.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 110880306
2-[N-(2-hydroxyethyl)anilino]-N-(2-phenylethyl)acetamide
CID 110877202
N-[3-(dimethylamino)propyl]-2-(N-ethylanilino)acetamide
CID 108995270
3-(N-propylanilino)propan-1-ol
CID 101291000
3-[[N-[3-(N-ethylanilino)propyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide
CID 111390255
2-(4-amino-N-propylanilino)-N-propylacetamide
CID 55174400
N-[2-(4-fluorophenyl)ethyl]-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 110877219
2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide
CID 43136352
2-[ethyl(3-hydroxypropyl)amino]-N-(2-phenylethyl)acetamide
CID 115666394
3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide
CID 62834234
3-(N-ethylanilino)propylurea
CID 112708177
N-(1-cyano-1-cyclopropylethyl)-2-[N-(3-hydroxypropyl)anilino]acetamide
CID 111859993

Frequently Asked Questions

What is the IUPAC name of 2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide?
The IUPAC name of 2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide (CID 111859978) is 2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide.
What is the SMILES notation for 2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide?
The canonical SMILES for 2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide is CCCNC(=O)CN(CCCO)c1ccccc1.
What is the InChIKey of 2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide?
The InChIKey is PDIPCOWVNQNMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-9-15-14(18)12-16(10-6-11-17)13-7-4-3-5-8-13/h3-5,7-8,17H,2,6,9-12H2,1H3,(H,15,18).
What are the key properties of 2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide?
2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide has a molecular weight of 250.34 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(3-hydroxypropyl)anilino]-N-propylacetamide is sourced from PubChem (CID 111859978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).