2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide

C16H26N2O3 — CID 106147288

IUPAC2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CNCC(C)(C)CCCO)c1
InChIInChI=1S/C16H26N2O3/c1-16(2,8-5-9-19)12-17-11-15(20)18-13-6-4-7-14(10-13)21-3/h4,6-7,10,17,19H,5,8-9,11-12H2,1-3H3,(H,18,20)
InChIKeyDGAOSRSCWJAMOE-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.02
Rot. Bonds9

About 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide

2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide (PubChem CID 106147288) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide
PubChem CID106147288
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CNCC(C)(C)CCCO)c1
InChIInChI=1S/C16H26N2O3/c1-16(2,8-5-9-19)12-17-11-15(20)18-13-6-4-7-14(10-13)21-3/h4,6-7,10,17,19H,5,8-9,11-12H2,1-3H3,(H,18,20)
InChIKeyDGAOSRSCWJAMOE-UHFFFAOYSA-N
XLogP2.02
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
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

3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N,2,2-trimethylpropanamide
CID 106276999
2-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide
CID 66172050
N-(3-methoxyphenyl)-2-(3,3,3-trifluoropropylamino)acetamide
CID 63226538
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
5-[(3-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897679
N-ethyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 43401692
3-amino-N-(3-methoxyphenyl)-3-methylbutanamide
CID 64683747
5-[[2-(3-methoxyanilino)-2-oxoethyl]amino]pentanamide
CID 106237534
2-[2,2-dimethylpropyl(3-hydroxypropyl)amino]-N-(3-methoxyphenyl)acetamide
CID 111107285
N-(3-methoxyphenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]acetamide
CID 102905462
2-(3-ethylpentan-3-ylamino)-N-(3-methoxyphenyl)acetamide
CID 65038567
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide (CID 106147288) is 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CNCC(C)(C)CCCO)c1.
What is the InChIKey of 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is DGAOSRSCWJAMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(2,8-5-9-19)12-17-11-15(20)18-13-6-4-7-14(10-13)21-3/h4,6-7,10,17,19H,5,8-9,11-12H2,1-3H3,(H,18,20).
What are the key properties of 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide?
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 294.39 g/mol, XLogP of 2.02, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 106147288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).