N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide

C17H25N3O4 — CID 119717551

IUPACN-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(OC)c(OCC(=O)NC2CC2)c1
InChIInChI=1S/C17H25N3O4/c1-18-9-3-4-16(21)20-13-7-8-14(23-2)15(10-13)24-11-17(22)19-12-5-6-12/h7-8,10,12,18H,3-6,9,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyLQSRNYBKRFBPAD-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.29
Rot. Bonds10

About N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide

N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide (PubChem CID 119717551) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide
PubChem CID119717551
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC NameN-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)Nc1ccc(OC)c(OCC(=O)NC2CC2)c1
InChIInChI=1S/C17H25N3O4/c1-18-9-3-4-16(21)20-13-7-8-14(23-2)15(10-13)24-11-17(22)19-12-5-6-12/h7-8,10,12,18H,3-6,9,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyLQSRNYBKRFBPAD-UHFFFAOYSA-N
XLogP1.29
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119717651
2-(4-aminophenyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]acetamide;hydrochloride
CID 119717548
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-4-(methylamino)butanamide
CID 119848510
(2S,5R)-5-(aminomethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]oxolane-2-carboxamide;hydrochloride
CID 120786885
[2-(cyclopropylamino)-2-oxoethyl]-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-methylazanium
CID 9052930
N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]morpholine-3-carboxamide;hydrochloride
CID 119717546
N-cyclooctyl-N'-(4-hydroxy-3-methoxyphenyl)butanediamide
CID 131919860
2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide
CID 119743114
N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119680210
N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-oxo-3H-quinazoline-7-carboxamide
CID 166280695
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744
N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119747154

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide?
The IUPAC name of N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide (CID 119717551) is N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide is CNCCCC(=O)Nc1ccc(OC)c(OCC(=O)NC2CC2)c1.
What is the InChIKey of N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide?
The InChIKey is LQSRNYBKRFBPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-18-9-3-4-16(21)20-13-7-8-14(23-2)15(10-13)24-11-17(22)19-12-5-6-12/h7-8,10,12,18H,3-6,9,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide?
N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide has a molecular weight of 335.40 g/mol, XLogP of 1.29, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119717551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).