N-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride

C18H29ClN2O4 — CID 119614010

IUPACN-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride
SMILESCCOc1cc(C(=O)NC(CN)C2CC2)cc(OCC)c1OCC.Cl
InChIInChI=1S/C18H28N2O4.ClH/c1-4-22-15-9-13(10-16(23-5-2)17(15)24-6-3)18(21)20-14(11-19)12-7-8-12;/h9-10,12,14H,4-8,11,19H2,1-3H3,(H,20,21);1H
InChIKeyRRXHKKSLXIHPGJ-UHFFFAOYSA-N
MW372.89 g/mol
LogP2.77
Rot. Bonds10

About N-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride (PubChem CID 119614010) has the molecular formula C18H29ClN2O4 and a molecular weight of 372.89 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride
PubChem CID119614010
Molecular FormulaC18H29ClN2O4
Molecular Weight372.89 g/mol
Exact Mass372.18
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride
SMILESCCOc1cc(C(=O)NC(CN)C2CC2)cc(OCC)c1OCC.Cl
InChIInChI=1S/C18H28N2O4.ClH/c1-4-22-15-9-13(10-16(23-5-2)17(15)24-6-3)18(21)20-14(11-19)12-7-8-12;/h9-10,12,14H,4-8,11,19H2,1-3H3,(H,20,21);1H
InChIKeyRRXHKKSLXIHPGJ-UHFFFAOYSA-N
XLogP2.77
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.89
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide;hydrochloride
CID 119614001
N-(2-amino-1-cyclopropylethyl)-2-ethoxybenzamide;hydrochloride
CID 119616625
3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride
CID 119613286
N-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119614778
N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119616315
N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
CID 119592013
N-(2-amino-1-cyclopropylethyl)-2-ethoxy-3-fluorobenzamide
CID 119613240
N-[(2S)-butan-2-yl]-3,4,5-triethoxybenzamide
CID 876684
N-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride
CID 119617428
1-N-(2-amino-1-cyclopropylethyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 119616497
N-(2-amino-1-cyclopropylethyl)-3-bromo-5-fluorobenzamide
CID 65188915
N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide
CID 119610034

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride (CID 119614010) is N-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride is CCOc1cc(C(=O)NC(CN)C2CC2)cc(OCC)c1OCC.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride?
The InChIKey is RRXHKKSLXIHPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4.ClH/c1-4-22-15-9-13(10-16(23-5-2)17(15)24-6-3)18(21)20-14(11-19)12-7-8-12;/h9-10,12,14H,4-8,11,19H2,1-3H3,(H,20,21);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride has a molecular weight of 372.89 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride is sourced from PubChem (CID 119614010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).