N-(1-amino-3-methoxypropan-2-yl)-3,4-diethoxybenzamide

C15H24N2O4 — CID 106180328

IUPACN-(1-amino-3-methoxypropan-2-yl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NC(CN)COC)cc1OCC
InChIInChI=1S/C15H24N2O4/c1-4-20-13-7-6-11(8-14(13)21-5-2)15(18)17-12(9-16)10-19-3/h6-8,12H,4-5,9-10,16H2,1-3H3,(H,17,18)
InChIKeyBGIRLMBJLPTXQG-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.19
Rot. Bonds9

About N-(1-amino-3-methoxypropan-2-yl)-3,4-diethoxybenzamide

N-(1-amino-3-methoxypropan-2-yl)-3,4-diethoxybenzamide (PubChem CID 106180328) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(1-amino-3-methoxypropan-2-yl)-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxypropan-2-yl)-3,4-diethoxybenzamide
PubChem CID106180328
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC NameN-(1-amino-3-methoxypropan-2-yl)-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NC(CN)COC)cc1OCC
InChIInChI=1S/C15H24N2O4/c1-4-20-13-7-6-11(8-14(13)21-5-2)15(18)17-12(9-16)10-19-3/h6-8,12H,4-5,9-10,16H2,1-3H3,(H,17,18)
InChIKeyBGIRLMBJLPTXQG-UHFFFAOYSA-N
XLogP1.19
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methoxybenzamide
CID 103850888
N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide
CID 120504957
2-[(3,4-diethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702074
3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 43418103
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
N-(4-amino-3-methyl-4-oxobutan-2-yl)-3,4-diethoxybenzamide
CID 70989891
2-[(4-ethoxy-3-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702980
N-(1-amino-4-methylpentan-2-yl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119587214
3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59910538
N-(1-amino-3-methoxypropan-2-yl)-4-(difluoromethoxy)benzamide
CID 106180246
4-ethoxy-3-(methoxymethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 133228824
N-(1-aminohexan-2-yl)-3-methoxy-4-(2-methylpropoxy)benzamide;hydrochloride
CID 119666426

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-3,4-diethoxybenzamide?
The IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-3,4-diethoxybenzamide (CID 106180328) is N-(1-amino-3-methoxypropan-2-yl)-3,4-diethoxybenzamide.
What is the SMILES notation for N-(1-amino-3-methoxypropan-2-yl)-3,4-diethoxybenzamide?
The canonical SMILES for N-(1-amino-3-methoxypropan-2-yl)-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NC(CN)COC)cc1OCC.
What is the InChIKey of N-(1-amino-3-methoxypropan-2-yl)-3,4-diethoxybenzamide?
The InChIKey is BGIRLMBJLPTXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-4-20-13-7-6-11(8-14(13)21-5-2)15(18)17-12(9-16)10-19-3/h6-8,12H,4-5,9-10,16H2,1-3H3,(H,17,18).
What are the key properties of N-(1-amino-3-methoxypropan-2-yl)-3,4-diethoxybenzamide?
N-(1-amino-3-methoxypropan-2-yl)-3,4-diethoxybenzamide has a molecular weight of 296.37 g/mol, XLogP of 1.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxypropan-2-yl)-3,4-diethoxybenzamide is sourced from PubChem (CID 106180328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).