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

C13H28N2O3 — CID 107152050

IUPAC2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNCC(O)CC(C)(C)C
InChIInChI=1S/C13H28N2O3/c1-13(2,3)8-11(16)9-14-10-12(17)15-6-5-7-18-4/h11,14,16H,5-10H2,1-4H3,(H,15,17)
InChIKeyUJGDKFGRKPWPPO-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.53
Rot. Bonds9

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

2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(3-methoxypropyl)acetamide (PubChem CID 107152050) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(3-methoxypropyl)acetamide
PubChem CID107152050
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNCC(O)CC(C)(C)C
InChIInChI=1S/C13H28N2O3/c1-13(2,3)8-11(16)9-14-10-12(17)15-6-5-7-18-4/h11,14,16H,5-10H2,1-4H3,(H,15,17)
InChIKeyUJGDKFGRKPWPPO-UHFFFAOYSA-N
XLogP0.53
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[(2-hydroxy-4,4-dimethylpentyl)amino]acetamide
CID 107152097
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 106275897
2-(2-hydroxyethylamino)-N-(3-methoxypropyl)acetamide
CID 60647414
2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]acetic acid
CID 43466021
N-(3-methoxypropyl)-2-[(2-methylpropan-2-yl)oxyamino]acetamide
CID 82723889
2-(2-ethoxyethylamino)-N-(3-methoxypropyl)acetamide
CID 61486039
2-[3-(2-hydroxyethoxy)propylamino]-N-(3-methoxypropyl)acetamide
CID 106309953
N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113249315
2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide
CID 114151909
2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide
CID 82108968
2-(2,3-dihydroxypropylsulfanyl)-N-(3-methoxypropyl)acetamide
CID 79683287

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(3-methoxypropyl)acetamide (CID 107152050) is 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNCC(O)CC(C)(C)C.
What is the InChIKey of 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(3-methoxypropyl)acetamide?
The InChIKey is UJGDKFGRKPWPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-13(2,3)8-11(16)9-14-10-12(17)15-6-5-7-18-4/h11,14,16H,5-10H2,1-4H3,(H,15,17).
What are the key properties of 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(3-methoxypropyl)acetamide?
2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(3-methoxypropyl)acetamide has a molecular weight of 260.38 g/mol, XLogP of 0.53, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 107152050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).