N-[1-(3,4-diethoxyphenyl)ethyl]-4-(dimethylamino)-3-hydroxybutanamide

C18H30N2O4 — CID 138015146

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]-4-(dimethylamino)-3-hydroxybutanamide
SMILESCCOc1ccc(C(C)NC(=O)CC(O)CN(C)C)cc1OCC
InChIInChI=1S/C18H30N2O4/c1-6-23-16-9-8-14(10-17(16)24-7-2)13(3)19-18(22)11-15(21)12-20(4)5/h8-10,13,15,21H,6-7,11-12H2,1-5H3,(H,19,22)
InChIKeyDQOZSYFKMKBQKA-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.97
Rot. Bonds10

About N-[1-(3,4-diethoxyphenyl)ethyl]-4-(dimethylamino)-3-hydroxybutanamide

N-[1-(3,4-diethoxyphenyl)ethyl]-4-(dimethylamino)-3-hydroxybutanamide (PubChem CID 138015146) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]-4-(dimethylamino)-3-hydroxybutanamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]-4-(dimethylamino)-3-hydroxybutanamide
PubChem CID138015146
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]-4-(dimethylamino)-3-hydroxybutanamide
SMILESCCOc1ccc(C(C)NC(=O)CC(O)CN(C)C)cc1OCC
InChIInChI=1S/C18H30N2O4/c1-6-23-16-9-8-14(10-17(16)24-7-2)13(3)19-18(22)11-15(21)12-20(4)5/h8-10,13,15,21H,6-7,11-12H2,1-5H3,(H,19,22)
InChIKeyDQOZSYFKMKBQKA-UHFFFAOYSA-N
XLogP1.97
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296
3-acetamido-N-[1-(3,4-diethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 46448379
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide
CID 4841217
4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119267799
2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119682983
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119682959
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide
CID 100755758

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-4-(dimethylamino)-3-hydroxybutanamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-4-(dimethylamino)-3-hydroxybutanamide (CID 138015146) is N-[1-(3,4-diethoxyphenyl)ethyl]-4-(dimethylamino)-3-hydroxybutanamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]-4-(dimethylamino)-3-hydroxybutanamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]-4-(dimethylamino)-3-hydroxybutanamide is CCOc1ccc(C(C)NC(=O)CC(O)CN(C)C)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]-4-(dimethylamino)-3-hydroxybutanamide?
The InChIKey is DQOZSYFKMKBQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-6-23-16-9-8-14(10-17(16)24-7-2)13(3)19-18(22)11-15(21)12-20(4)5/h8-10,13,15,21H,6-7,11-12H2,1-5H3,(H,19,22).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]-4-(dimethylamino)-3-hydroxybutanamide?
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(dimethylamino)-3-hydroxybutanamide has a molecular weight of 338.45 g/mol, XLogP of 1.97, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]-4-(dimethylamino)-3-hydroxybutanamide is sourced from PubChem (CID 138015146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).