5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide

C16H26N2O3 — CID 104683468

IUPAC5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide
SMILESCCOc1ccc(NC(=O)C(C)CCCN)cc1OCC
InChIInChI=1S/C16H26N2O3/c1-4-20-14-9-8-13(11-15(14)21-5-2)18-16(19)12(3)7-6-10-17/h8-9,11-12H,4-7,10,17H2,1-3H3,(H,18,19)
InChIKeyRMIMODYLVOQBOL-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.80
Rot. Bonds9

About 5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide

5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide (PubChem CID 104683468) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide
PubChem CID104683468
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide
SMILESCCOc1ccc(NC(=O)C(C)CCCN)cc1OCC
InChIInChI=1S/C16H26N2O3/c1-4-20-14-9-8-13(11-15(14)21-5-2)18-16(19)12(3)7-6-10-17/h8-9,11-12H,4-7,10,17H2,1-3H3,(H,18,19)
InChIKeyRMIMODYLVOQBOL-UHFFFAOYSA-N
XLogP2.80
TPSA73.58 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 ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-diethoxyphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853227
3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide
CID 55104746
6-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylheptanamide
CID 65290958
(2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide
CID 103830950
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide
CID 63755309
2-bromo-N-(3,4-diethoxyphenyl)butanamide
CID 62854269
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride
CID 119286172
5-amino-2-methyl-N-(4-phenylphenyl)pentanamide
CID 104683998
5-amino-2-methyl-N-(3-phenylphenyl)pentanamide
CID 143299343
5-amino-N-[4-(ethylsulfonylamino)phenyl]-2-methylpentanamide
CID 104684256
2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide
CID 43346919

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide?
The IUPAC name of 5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide (CID 104683468) is 5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide?
The canonical SMILES for 5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide is CCOc1ccc(NC(=O)C(C)CCCN)cc1OCC.
What is the InChIKey of 5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide?
The InChIKey is RMIMODYLVOQBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-20-14-9-8-13(11-15(14)21-5-2)18-16(19)12(3)7-6-10-17/h8-9,11-12H,4-7,10,17H2,1-3H3,(H,18,19).
What are the key properties of 5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide?
5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide has a molecular weight of 294.40 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide is sourced from PubChem (CID 104683468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).