N-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide

C16H23N3O3 — CID 119498857

IUPACN-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCC(N)CCNC(=O)COc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C16H23N3O3/c1-11(17)7-8-18-15(20)10-22-14-4-2-3-13(9-14)19-16(21)12-5-6-12/h2-4,9,11-12H,5-8,10,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyDDOIGLORDTZNMH-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.27
Rot. Bonds8

About N-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 119498857) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
PubChem CID119498857
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESCC(N)CCNC(=O)COc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C16H23N3O3/c1-11(17)7-8-18-15(20)10-22-14-4-2-3-13(9-14)19-16(21)12-5-6-12/h2-4,9,11-12H,5-8,10,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyDDOIGLORDTZNMH-UHFFFAOYSA-N
XLogP1.27
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119433438
N-[3-[2-(2,2-diphenylethylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616709
N-[3-[2-[(3-methyl-2-phenylbutyl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46433039
N-[3-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119621061
N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55618064
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249671
N-(3-aminobutyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119497988
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
N-[3-[2-[2-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55615703
methyl 4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]benzoate
CID 46411540
tert-butyl (2S)-2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-4-methylpentanoate
CID 75380920
N-[3-[2-[benzyl(1-cyclopropylethyl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55632381

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide (CID 119498857) is N-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide is CC(N)CCNC(=O)COc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is DDOIGLORDTZNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11(17)7-8-18-15(20)10-22-14-4-2-3-13(9-14)19-16(21)12-5-6-12/h2-4,9,11-12H,5-8,10,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 119498857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).