3-[N-(4-hydroxybutyl)-3-methylanilino]propanamide

C14H22N2O2 — CID 110935979

IUPAC3-[N-(4-hydroxybutyl)-3-methylanilino]propanamide
SMILESCc1cccc(N(CCCCO)CCC(N)=O)c1
InChIInChI=1S/C14H22N2O2/c1-12-5-4-6-13(11-12)16(8-2-3-10-17)9-7-14(15)18/h4-6,11,17H,2-3,7-10H2,1H3,(H2,15,18)
InChIKeyZAYFANMAQWGLIC-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.45
Rot. Bonds8

About 3-[N-(4-hydroxybutyl)-3-methylanilino]propanamide

3-[N-(4-hydroxybutyl)-3-methylanilino]propanamide (PubChem CID 110935979) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[N-(4-hydroxybutyl)-3-methylanilino]propanamide.

Molecular Properties

Compound Name3-[N-(4-hydroxybutyl)-3-methylanilino]propanamide
PubChem CID110935979
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[N-(4-hydroxybutyl)-3-methylanilino]propanamide
SMILESCc1cccc(N(CCCCO)CCC(N)=O)c1
InChIInChI=1S/C14H22N2O2/c1-12-5-4-6-13(11-12)16(8-2-3-10-17)9-7-14(15)18/h4-6,11,17H,2-3,7-10H2,1H3,(H2,15,18)
InChIKeyZAYFANMAQWGLIC-UHFFFAOYSA-N
XLogP1.45
TPSA66.56 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 ≤ 51.45
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

ethane;2-[N-(2-hydroxyethyl)-3-methylanilino]ethanol
CID 143917087
6-(N,3-dimethylanilino)hexan-1-ol
CID 103737894
3-(3-methyl-N-propylanilino)propanoic acid
CID 82317776
4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride
CID 119311463
N,N-dibutyl-3-methylaniline
CID 15332677
3-(N-butylanilino)propanamide
CID 63172183
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
sodium;hydride;4-[3-methyl-N-(4-sulfobutyl)anilino]butane-1-sulfonic acid
CID 173257441
3-(N-ethyl-3-methylanilino)propanethioamide
CID 39160770
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216
N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 43136076
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568

Frequently Asked Questions

What is the IUPAC name of 3-[N-(4-hydroxybutyl)-3-methylanilino]propanamide?
The IUPAC name of 3-[N-(4-hydroxybutyl)-3-methylanilino]propanamide (CID 110935979) is 3-[N-(4-hydroxybutyl)-3-methylanilino]propanamide.
What is the SMILES notation for 3-[N-(4-hydroxybutyl)-3-methylanilino]propanamide?
The canonical SMILES for 3-[N-(4-hydroxybutyl)-3-methylanilino]propanamide is Cc1cccc(N(CCCCO)CCC(N)=O)c1.
What is the InChIKey of 3-[N-(4-hydroxybutyl)-3-methylanilino]propanamide?
The InChIKey is ZAYFANMAQWGLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12-5-4-6-13(11-12)16(8-2-3-10-17)9-7-14(15)18/h4-6,11,17H,2-3,7-10H2,1H3,(H2,15,18).
What are the key properties of 3-[N-(4-hydroxybutyl)-3-methylanilino]propanamide?
3-[N-(4-hydroxybutyl)-3-methylanilino]propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(4-hydroxybutyl)-3-methylanilino]propanamide is sourced from PubChem (CID 110935979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).