2-anilino-N-(2-hydroxypropyl)-N-methylhexanamide

C16H26N2O2 — CID 123306109

IUPAC2-anilino-N-(2-hydroxypropyl)-N-methylhexanamide
SMILESCCCCC(Nc1ccccc1)C(=O)N(C)CC(C)O
InChIInChI=1S/C16H26N2O2/c1-4-5-11-15(16(20)18(3)12-13(2)19)17-14-9-7-6-8-10-14/h6-10,13,15,17,19H,4-5,11-12H2,1-3H3
InChIKeyZXUQWPNJFCCVSC-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.50
Rot. Bonds8

About 2-anilino-N-(2-hydroxypropyl)-N-methylhexanamide

2-anilino-N-(2-hydroxypropyl)-N-methylhexanamide (PubChem CID 123306109) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-anilino-N-(2-hydroxypropyl)-N-methylhexanamide.

Molecular Properties

Compound Name2-anilino-N-(2-hydroxypropyl)-N-methylhexanamide
PubChem CID123306109
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-anilino-N-(2-hydroxypropyl)-N-methylhexanamide
SMILESCCCCC(Nc1ccccc1)C(=O)N(C)CC(C)O
InChIInChI=1S/C16H26N2O2/c1-4-5-11-15(16(20)18(3)12-13(2)19)17-14-9-7-6-8-10-14/h6-10,13,15,17,19H,4-5,11-12H2,1-3H3
InChIKeyZXUQWPNJFCCVSC-UHFFFAOYSA-N
XLogP2.50
TPSA52.57 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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-anilinobutanoyl(methyl)amino]-2-methylpropanoic acid
CID 166239589
2-anilino-N,N-dimethylbutanamide
CID 137320686
2-anilinoheptanamide
CID 61005049
methyl 2-anilinooctanoate
CID 54889679
ethyl (2R)-2-anilinotridecanoate
CID 155931058
(2S)-2-anilinopentanoic acid
CID 22847649
N-[(2R,3R)-3-methylheptan-2-yl]aniline
CID 10646032
methyl 2-anilinopentanoate
CID 60992581
(2S)-2-amino-N-(2-hydroxypropyl)-N-methyl-2-phenylacetamide
CID 104897800
2-(4-methylsulfanylanilino)hexanoic acid
CID 103232532
N-(2-hydroxypropyl)-N,3-dimethyl-2-phenylpentanamide
CID 62335322
N-octan-4-ylaniline
CID 12779854

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(2-hydroxypropyl)-N-methylhexanamide?
The IUPAC name of 2-anilino-N-(2-hydroxypropyl)-N-methylhexanamide (CID 123306109) is 2-anilino-N-(2-hydroxypropyl)-N-methylhexanamide.
What is the SMILES notation for 2-anilino-N-(2-hydroxypropyl)-N-methylhexanamide?
The canonical SMILES for 2-anilino-N-(2-hydroxypropyl)-N-methylhexanamide is CCCCC(Nc1ccccc1)C(=O)N(C)CC(C)O.
What is the InChIKey of 2-anilino-N-(2-hydroxypropyl)-N-methylhexanamide?
The InChIKey is ZXUQWPNJFCCVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-5-11-15(16(20)18(3)12-13(2)19)17-14-9-7-6-8-10-14/h6-10,13,15,17,19H,4-5,11-12H2,1-3H3.
What are the key properties of 2-anilino-N-(2-hydroxypropyl)-N-methylhexanamide?
2-anilino-N-(2-hydroxypropyl)-N-methylhexanamide has a molecular weight of 278.40 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(2-hydroxypropyl)-N-methylhexanamide is sourced from PubChem (CID 123306109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).