3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide

C16H26N2O3 — CID 119683000

IUPAC3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
SMILESCCOc1ccc(C(C)NC(=O)CC(C)N)cc1OCC
InChIInChI=1S/C16H26N2O3/c1-5-20-14-8-7-13(10-15(14)21-6-2)12(4)18-16(19)9-11(3)17/h7-8,10-12H,5-6,9,17H2,1-4H3,(H,18,19)
InChIKeyRHWUKXPZUMMERQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.40
Rot. Bonds8

About 3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide

3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide (PubChem CID 119683000) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
PubChem CID119683000
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
SMILESCCOc1ccc(C(C)NC(=O)CC(C)N)cc1OCC
InChIInChI=1S/C16H26N2O3/c1-5-20-14-8-7-13(10-15(14)21-6-2)12(4)18-16(19)9-11(3)17/h7-8,10-12H,5-6,9,17H2,1-4H3,(H,18,19)
InChIKeyRHWUKXPZUMMERQ-UHFFFAOYSA-N
XLogP2.40
TPSA73.58 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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
3-amino-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]butanamide
CID 119722964
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(dimethylamino)-3-hydroxybutanamide
CID 138015146
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296
4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119267799
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
2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983475
2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119682983
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119682959

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide?
The IUPAC name of 3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide (CID 119683000) is 3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide?
The canonical SMILES for 3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide is CCOc1ccc(C(C)NC(=O)CC(C)N)cc1OCC.
What is the InChIKey of 3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide?
The InChIKey is RHWUKXPZUMMERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-20-14-8-7-13(10-15(14)21-6-2)12(4)18-16(19)9-11(3)17/h7-8,10-12H,5-6,9,17H2,1-4H3,(H,18,19).
What are the key properties of 3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide?
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide has a molecular weight of 294.40 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 119683000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).