N-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride

C16H24ClN3O3 — CID 119433438

IUPACN-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCNCCCNC(=O)COc1cccc(NC(=O)C2CC2)c1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-17-8-3-9-18-15(20)11-22-14-5-2-4-13(10-14)19-16(21)12-6-7-12;/h2,4-5,10,12,17H,3,6-9,11H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyNJRDNVHUGGVCMO-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.56
Rot. Bonds9

About N-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride

N-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 119433438) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
PubChem CID119433438
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC NameN-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCNCCCNC(=O)COc1cccc(NC(=O)C2CC2)c1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-17-8-3-9-18-15(20)11-22-14-5-2-4-13(10-14)19-16(21)12-6-7-12;/h2,4-5,10,12,17H,3,6-9,11H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyNJRDNVHUGGVCMO-UHFFFAOYSA-N
XLogP1.56
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119621061
N-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 119498857
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249671
4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120543056
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-[3-[2-(2,2-diphenylethylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616709
N-[3-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55615703
1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid
CID 75445818
methyl 4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]benzoate
CID 46411540
N-[3-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55880159
N-[3-[2-[(3-methyl-2-phenylbutyl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46433039

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride (CID 119433438) is N-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride is CNCCCNC(=O)COc1cccc(NC(=O)C2CC2)c1.Cl.
What is the InChIKey of N-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is NJRDNVHUGGVCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-17-8-3-9-18-15(20)11-22-14-5-2-4-13(10-14)19-16(21)12-6-7-12;/h2,4-5,10,12,17H,3,6-9,11H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride?
N-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 1.56, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 119433438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).