2-[(3-ethyl-2-hydroxypentyl)amino]-N-(4-methylphenyl)acetamide

C16H26N2O2 — CID 106285628

IUPAC2-[(3-ethyl-2-hydroxypentyl)amino]-N-(4-methylphenyl)acetamide
SMILESCCC(CC)C(O)CNCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H26N2O2/c1-4-13(5-2)15(19)10-17-11-16(20)18-14-8-6-12(3)7-9-14/h6-9,13,15,17,19H,4-5,10-11H2,1-3H3,(H,18,20)
InChIKeyQAQXBASIVGGZRT-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.32
Rot. Bonds8

About 2-[(3-ethyl-2-hydroxypentyl)amino]-N-(4-methylphenyl)acetamide

2-[(3-ethyl-2-hydroxypentyl)amino]-N-(4-methylphenyl)acetamide (PubChem CID 106285628) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(3-ethyl-2-hydroxypentyl)amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-ethyl-2-hydroxypentyl)amino]-N-(4-methylphenyl)acetamide
PubChem CID106285628
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[(3-ethyl-2-hydroxypentyl)amino]-N-(4-methylphenyl)acetamide
SMILESCCC(CC)C(O)CNCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H26N2O2/c1-4-13(5-2)15(19)10-17-11-16(20)18-14-8-6-12(3)7-9-14/h6-9,13,15,17,19H,4-5,10-11H2,1-3H3,(H,18,20)
InChIKeyQAQXBASIVGGZRT-UHFFFAOYSA-N
XLogP2.32
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]phenyl]acetamide
CID 103657650
N-ethyl-2-[(3-ethyl-2-hydroxypentyl)amino]acetamide
CID 106285867
N-(4-chlorophenyl)-2-(2-ethylbutylamino)acetamide
CID 115592340
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
N-(4-fluorophenyl)-2-(2-hydroxypropylamino)acetamide
CID 43389711
2-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)acetamide
CID 43389753
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
4-acetamido-N-(3-ethyl-2-hydroxypentyl)benzamide
CID 103658545
1-(2-amino-3-ethylpentyl)-3-(4-methylphenyl)urea
CID 106286600
2-(3-ethylpentan-3-ylamino)-N-(4-methylphenyl)acetamide
CID 65039600
2-(diethylamino)-N-(4-methylphenyl)acetamide;hydrochloride
CID 138397911
N-(4-methylphenyl)-3-(2-methylpropylamino)propanamide
CID 109012816

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-hydroxypentyl)amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(3-ethyl-2-hydroxypentyl)amino]-N-(4-methylphenyl)acetamide (CID 106285628) is 2-[(3-ethyl-2-hydroxypentyl)amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-ethyl-2-hydroxypentyl)amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-ethyl-2-hydroxypentyl)amino]-N-(4-methylphenyl)acetamide is CCC(CC)C(O)CNCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-[(3-ethyl-2-hydroxypentyl)amino]-N-(4-methylphenyl)acetamide?
The InChIKey is QAQXBASIVGGZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-13(5-2)15(19)10-17-11-16(20)18-14-8-6-12(3)7-9-14/h6-9,13,15,17,19H,4-5,10-11H2,1-3H3,(H,18,20).
What are the key properties of 2-[(3-ethyl-2-hydroxypentyl)amino]-N-(4-methylphenyl)acetamide?
2-[(3-ethyl-2-hydroxypentyl)amino]-N-(4-methylphenyl)acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.32, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-hydroxypentyl)amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 106285628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).