N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide

C16H26N2O3 — CID 103839704

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(C)(O)CN(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-16(20,12-18(2)3)11-17-15(19)10-7-13-5-8-14(21-4)9-6-13/h5-6,8-9,20H,7,10-12H2,1-4H3,(H,17,19)
InChIKeyJFXDDVFCTKNMFP-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.06
Rot. Bonds8

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 103839704) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide
PubChem CID103839704
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(C)(O)CN(C)C)cc1
InChIInChI=1S/C16H26N2O3/c1-16(20,12-18(2)3)11-17-15(19)10-7-13-5-8-14(21-4)9-6-13/h5-6,8-9,20H,7,10-12H2,1-4H3,(H,17,19)
InChIKeyJFXDDVFCTKNMFP-UHFFFAOYSA-N
XLogP1.06
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-3-(4-methoxyphenyl)propanamide
CID 65112662
N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylsulfonylphenyl)propanamide
CID 100700105
N-(2,3-dimethoxy-2-methylpropyl)-3-(4-methoxyphenyl)propanamide
CID 122243919
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 103839582
3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 103839832
3-[4-(difluoromethoxy)phenyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 78848142
ethyl (3R)-3-hydroxy-4-[4-(4-methoxyphenyl)butanoylamino]-3-methylbutanoate
CID 97352162
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 16889384
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
2-(4-aminophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 106139459
3-hydroxy-4-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutanoic acid
CID 66001117

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide (CID 103839704) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCC(C)(O)CN(C)C)cc1.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is JFXDDVFCTKNMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(20,12-18(2)3)11-17-15(19)10-7-13-5-8-14(21-4)9-6-13/h5-6,8-9,20H,7,10-12H2,1-4H3,(H,17,19).
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 294.40 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 103839704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).