3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide

C16H26N2O2 — CID 107199352

IUPAC3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide
SMILESCC(CC(=O)N(C)CCCCCO)c1ccc(N)cc1
InChIInChI=1S/C16H26N2O2/c1-13(14-6-8-15(17)9-7-14)12-16(20)18(2)10-4-3-5-11-19/h6-9,13,19H,3-5,10-12,17H2,1-2H3
InChIKeyDNOXYXIJUKUBDB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.38
Rot. Bonds8

About 3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide

3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide (PubChem CID 107199352) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide
PubChem CID107199352
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide
SMILESCC(CC(=O)N(C)CCCCCO)c1ccc(N)cc1
InChIInChI=1S/C16H26N2O2/c1-13(14-6-8-15(17)9-7-14)12-16(20)18(2)10-4-3-5-11-19/h6-9,13,19H,3-5,10-12,17H2,1-2H3
InChIKeyDNOXYXIJUKUBDB-UHFFFAOYSA-N
XLogP2.38
TPSA66.56 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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-aminophenyl)-N-[3-(dimethylamino)propyl]-N-methylbutanamide
CID 104502633
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide
CID 104502632
3-(4-aminophenyl)-N-methyl-N-[2-(methylamino)ethyl]butanamide
CID 104502669
3-(4-aminophenyl)-N-(2,2-dimethylpropyl)-N-methylbutanamide
CID 104502518
methyl 2-[3-(4-aminophenyl)butanoyl-methylamino]acetate
CID 104502315
3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide
CID 107317608
3-(4-aminophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)butanamide
CID 104502203
3-(4-aminophenyl)-N-pentyl-N-propan-2-ylbutanamide
CID 104502295
3-(4-aminophenyl)-N,N-dipropylbutanamide
CID 104501970
3-(4-aminophenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide
CID 104502770
2-[3-(4-aminophenyl)butanoyl-(carboxymethyl)amino]acetic acid
CID 104502627
3-(4-aminophenyl)-N-(1-cyanopropan-2-yl)-N-methylbutanamide
CID 104502599

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide (CID 107199352) is 3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide is CC(CC(=O)N(C)CCCCCO)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide?
The InChIKey is DNOXYXIJUKUBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(14-6-8-15(17)9-7-14)12-16(20)18(2)10-4-3-5-11-19/h6-9,13,19H,3-5,10-12,17H2,1-2H3.
What are the key properties of 3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide?
3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide has a molecular weight of 278.40 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-(5-hydroxypentyl)-N-methylbutanamide is sourced from PubChem (CID 107199352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).