N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride

C21H28ClN3O4 — CID 120603887

IUPACN-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride
SMILESCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCN)cc1OCC.Cl
InChIInChI=1S/C21H27N3O4.ClH/c1-3-13-28-18-10-9-15(14-19(18)27-4-2)20(25)24-17-8-6-5-7-16(17)21(26)23-12-11-22;/h5-10,14H,3-4,11-13,22H2,1-2H3,(H,23,26)(H,24,25);1H
InChIKeyCGJYZPWMYWFVSY-UHFFFAOYSA-N
MW421.93 g/mol
LogP3.24
Rot. Bonds10

About N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride

N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride (PubChem CID 120603887) has the molecular formula C21H28ClN3O4 and a molecular weight of 421.93 g/mol. Its IUPAC name is N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride
PubChem CID120603887
Molecular FormulaC21H28ClN3O4
Molecular Weight421.93 g/mol
Exact Mass421.18
IUPAC NameN-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride
SMILESCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCN)cc1OCC.Cl
InChIInChI=1S/C21H27N3O4.ClH/c1-3-13-28-18-10-9-15(14-19(18)27-4-2)20(25)24-17-8-6-5-7-16(17)21(26)23-12-11-22;/h5-10,14H,3-4,11-13,22H2,1-2H3,(H,23,26)(H,24,25);1H
InChIKeyCGJYZPWMYWFVSY-UHFFFAOYSA-N
XLogP3.24
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide
CID 119384376
3-ethoxy-N-[2-(propan-2-ylcarbamoyl)phenyl]-4-propoxybenzamide
CID 34556582
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120603434
3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 34752310
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 34282702
3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17149402
3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17342812
N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide
CID 119498085
N-[2-(2-aminoethylcarbamoyl)phenyl]-4-cyclopentyloxy-3-methoxybenzamide;hydrochloride
CID 120603998
N-[2-(butylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 17256689
4-butoxy-3-ethoxy-N-(2-ethylphenyl)benzamide
CID 8839335
3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-hexoxybenzamide
CID 17149395

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride?
The IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride (CID 120603887) is N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride.
What is the SMILES notation for N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride?
The canonical SMILES for N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride is CCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCN)cc1OCC.Cl.
What is the InChIKey of N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride?
The InChIKey is CGJYZPWMYWFVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4.ClH/c1-3-13-28-18-10-9-15(14-19(18)27-4-2)20(25)24-17-8-6-5-7-16(17)21(26)23-12-11-22;/h5-10,14H,3-4,11-13,22H2,1-2H3,(H,23,26)(H,24,25);1H.
What are the key properties of N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride?
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride has a molecular weight of 421.93 g/mol, XLogP of 3.24, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethoxy-4-propoxybenzamide;hydrochloride is sourced from PubChem (CID 120603887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).