4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride

C20H26ClN3O4 — CID 120648526

IUPAC4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)N(CCCN)Cc2ccccc2)ccc1OCC(N)=O.Cl
InChIInChI=1S/C20H25N3O4.ClH/c1-26-18-12-16(8-9-17(18)27-14-19(22)24)20(25)23(11-5-10-21)13-15-6-3-2-4-7-15;/h2-4,6-9,12H,5,10-11,13-14,21H2,1H3,(H2,22,24);1H
InChIKeyRQBSEXJPMATPRW-UHFFFAOYSA-N
MW407.90 g/mol
LogP1.97
Rot. Bonds10

About 4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride

4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride (PubChem CID 120648526) has the molecular formula C20H26ClN3O4 and a molecular weight of 407.90 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride
PubChem CID120648526
Molecular FormulaC20H26ClN3O4
Molecular Weight407.90 g/mol
Exact Mass407.16
IUPAC Name4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)N(CCCN)Cc2ccccc2)ccc1OCC(N)=O.Cl
InChIInChI=1S/C20H25N3O4.ClH/c1-26-18-12-16(8-9-17(18)27-14-19(22)24)20(25)23(11-5-10-21)13-15-6-3-2-4-7-15;/h2-4,6-9,12H,5,10-11,13-14,21H2,1H3,(H2,22,24);1H
InChIKeyRQBSEXJPMATPRW-UHFFFAOYSA-N
XLogP1.97
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 120648431
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide
CID 38252727
N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide
CID 43319202
N-(3-aminopropyl)-3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]-4-phenylmethoxybenzamide
CID 143404891
N-(3-aminopropyl)-N-benzyl-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 120649981
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 47011435
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
4-(2-amino-2-oxoethoxy)-3-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 17431378
N-(3-aminopropyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,4-dimethoxybenzamide
CID 23763521
N,N-dibenzyl-3-ethoxy-4-methoxybenzamide
CID 55334507

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride (CID 120648526) is 4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride is COc1cc(C(=O)N(CCCN)Cc2ccccc2)ccc1OCC(N)=O.Cl.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride?
The InChIKey is RQBSEXJPMATPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4.ClH/c1-26-18-12-16(8-9-17(18)27-14-19(22)24)20(25)23(11-5-10-21)13-15-6-3-2-4-7-15;/h2-4,6-9,12H,5,10-11,13-14,21H2,1H3,(H2,22,24);1H.
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride?
4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride has a molecular weight of 407.90 g/mol, XLogP of 1.97, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-(3-aminopropyl)-N-benzyl-3-methoxybenzamide;hydrochloride is sourced from PubChem (CID 120648526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).