N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide

C18H25N3O3 — CID 119720950

IUPACN-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1)c1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-12(20-18(23)14-8-9-19-10-14)13-2-6-16(7-3-13)24-11-17(22)21-15-4-5-15/h2-3,6-7,12,14-15,19H,4-5,8-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyTWSLUFMMSPUABF-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.13
Rot. Bonds7

About N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide

N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide (PubChem CID 119720950) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide
PubChem CID119720950
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1CCNC1)c1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-12(20-18(23)14-8-9-19-10-14)13-2-6-16(7-3-13)24-11-17(22)21-15-4-5-15/h2-3,6-7,12,14-15,19H,4-5,8-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyTWSLUFMMSPUABF-UHFFFAOYSA-N
XLogP1.13
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119720937
(2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride
CID 119288036
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622064
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119773817
N-[1-(4-cyanophenyl)ethyl]pyrrolidine-3-carboxamide
CID 55150795
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
N-(1-phenylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119669719
2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119450091
5-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-methylbenzamide
CID 120622061
N-[1-(4-phenylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119685570
2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide (CID 119720950) is N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide is CC(NC(=O)C1CCNC1)c1ccc(OCC(=O)NC2CC2)cc1.
What is the InChIKey of N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is TWSLUFMMSPUABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12(20-18(23)14-8-9-19-10-14)13-2-6-16(7-3-13)24-11-17(22)21-15-4-5-15/h2-3,6-7,12,14-15,19H,4-5,8-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide?
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 119720950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).