N-(3,4-diethoxyphenyl)-3-(ethylamino)-2-methylpropanamide

C16H26N2O3 — CID 62853227

IUPACN-(3,4-diethoxyphenyl)-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C16H26N2O3/c1-5-17-11-12(4)16(19)18-13-8-9-14(20-6-2)15(10-13)21-7-3/h8-10,12,17H,5-7,11H2,1-4H3,(H,18,19)
InChIKeyDHQNTJUBIYTNGQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.67
Rot. Bonds9

About N-(3,4-diethoxyphenyl)-3-(ethylamino)-2-methylpropanamide

N-(3,4-diethoxyphenyl)-3-(ethylamino)-2-methylpropanamide (PubChem CID 62853227) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-3-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-3-(ethylamino)-2-methylpropanamide
PubChem CID62853227
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC NameN-(3,4-diethoxyphenyl)-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C16H26N2O3/c1-5-17-11-12(4)16(19)18-13-8-9-14(20-6-2)15(10-13)21-7-3/h8-10,12,17H,5-7,11H2,1-4H3,(H,18,19)
InChIKeyDHQNTJUBIYTNGQ-UHFFFAOYSA-N
XLogP2.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-(ethylamino)-2-methylpropanamide
CID 55123166
5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide
CID 104683468
3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide
CID 55104746
2-bromo-N-(3,4-diethoxyphenyl)butanamide
CID 62854269
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839717
3-(ethylamino)-N-(3-fluoro-4-methoxyphenyl)-2-methylpropanamide
CID 55122876
2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide
CID 43346919
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79201568
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide
CID 63755309
2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride
CID 119286172
2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid
CID 86079719

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-3-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-3-(ethylamino)-2-methylpropanamide (CID 62853227) is N-(3,4-diethoxyphenyl)-3-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-3-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-3-(ethylamino)-2-methylpropanamide is CCNCC(C)C(=O)Nc1ccc(OCC)c(OCC)c1.
What is the InChIKey of N-(3,4-diethoxyphenyl)-3-(ethylamino)-2-methylpropanamide?
The InChIKey is DHQNTJUBIYTNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-17-11-12(4)16(19)18-13-8-9-14(20-6-2)15(10-13)21-7-3/h8-10,12,17H,5-7,11H2,1-4H3,(H,18,19).
What are the key properties of N-(3,4-diethoxyphenyl)-3-(ethylamino)-2-methylpropanamide?
N-(3,4-diethoxyphenyl)-3-(ethylamino)-2-methylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-3-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62853227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).