2-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide

C16H26N2O3 — CID 66172050

IUPAC2-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CNCC(C)(O)CC(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-12(2)9-16(3,20)11-17-10-15(19)18-13-6-5-7-14(8-13)21-4/h5-8,12,17,20H,9-11H2,1-4H3,(H,18,19)
InChIKeySXJNJUFAAZQACJ-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.02
Rot. Bonds8

About 2-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide

2-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide (PubChem CID 66172050) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide
PubChem CID66172050
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CNCC(C)(O)CC(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-12(2)9-16(3,20)11-17-10-15(19)18-13-6-5-7-14(8-13)21-4/h5-8,12,17,20H,9-11H2,1-4H3,(H,18,19)
InChIKeySXJNJUFAAZQACJ-UHFFFAOYSA-N
XLogP2.02
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetamide
CID 66178826
3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 106276999
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide
CID 106147288
N-(3-methoxyphenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905462
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N-ethyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 43401692
2-(3-ethylpentan-3-ylamino)-N-(3-methoxyphenyl)acetamide
CID 65038567
N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide
CID 63226538
N-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958455
2-(1-hydroxypropan-2-ylamino)-N-(3-methoxyphenyl)acetamide
CID 43499874
2-(butan-2-ylamino)-N-(3-methoxyphenyl)acetamide
CID 43179380
N-(3-methoxyphenyl)-2-(3-methylpentan-2-ylamino)acetamide
CID 61463325

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide (CID 66172050) is 2-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CNCC(C)(O)CC(C)C)c1.
What is the InChIKey of 2-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is SXJNJUFAAZQACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(2)9-16(3,20)11-17-10-15(19)18-13-6-5-7-14(8-13)21-4/h5-8,12,17,20H,9-11H2,1-4H3,(H,18,19).
What are the key properties of 2-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide?
2-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 294.39 g/mol, XLogP of 2.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 66172050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).