1-acetyl-N-ethyl-4-(3-phenoxypropanoylamino)pyrrolidine-2-carboxamide

C18H25N3O4 — CID 156604328

IUPAC1-acetyl-N-ethyl-4-(3-phenoxypropanoylamino)pyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CC(NC(=O)CCOc2ccccc2)CN1C(C)=O
InChIInChI=1S/C18H25N3O4/c1-3-19-18(24)16-11-14(12-21(16)13(2)22)20-17(23)9-10-25-15-7-5-4-6-8-15/h4-8,14,16H,3,9-12H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyRNXABKGPGBKRKQ-UHFFFAOYSA-N
MW347.41 g/mol
LogP0.70
Rot. Bonds7

About 1-acetyl-N-ethyl-4-(3-phenoxypropanoylamino)pyrrolidine-2-carboxamide

1-acetyl-N-ethyl-4-(3-phenoxypropanoylamino)pyrrolidine-2-carboxamide (PubChem CID 156604328) has the molecular formula C18H25N3O4 and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-acetyl-N-ethyl-4-(3-phenoxypropanoylamino)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-ethyl-4-(3-phenoxypropanoylamino)pyrrolidine-2-carboxamide
PubChem CID156604328
Molecular FormulaC18H25N3O4
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC Name1-acetyl-N-ethyl-4-(3-phenoxypropanoylamino)pyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CC(NC(=O)CCOc2ccccc2)CN1C(C)=O
InChIInChI=1S/C18H25N3O4/c1-3-19-18(24)16-11-14(12-21(16)13(2)22)20-17(23)9-10-25-15-7-5-4-6-8-15/h4-8,14,16H,3,9-12H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyRNXABKGPGBKRKQ-UHFFFAOYSA-N
XLogP0.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminocyclobutyl)-3-phenoxypropanamide
CID 43595119
(2S,4S)-4-(3-benzylsulfanylpropanoylamino)-N-ethyl-1-methylpyrrolidine-2-carboxamide
CID 72921123
N-[1-acetyl-5-(ethylcarbamoyl)pyrrolidin-3-yl]-3-chloro-1H-indole-2-carboxamide
CID 156607011
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
(2S,4S)-N-ethyl-1-(3-methylsulfanylpropanoyl)-4-[(2-pyridin-3-ylacetyl)amino]pyrrolidine-2-carboxamide
CID 72935961
N-(5-oxo-1-phenylpyrrolidin-3-yl)-3-phenoxypropanamide
CID 110736812
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide
CID 45224983
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-phenoxypropanamide
CID 43594528
(2S,4S)-4-(cyclobutanecarbonylamino)-N-ethyl-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 72854385
N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-phenoxypropanamide
CID 91760699
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 166191503

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-ethyl-4-(3-phenoxypropanoylamino)pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-ethyl-4-(3-phenoxypropanoylamino)pyrrolidine-2-carboxamide (CID 156604328) is 1-acetyl-N-ethyl-4-(3-phenoxypropanoylamino)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-ethyl-4-(3-phenoxypropanoylamino)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-ethyl-4-(3-phenoxypropanoylamino)pyrrolidine-2-carboxamide is CCNC(=O)C1CC(NC(=O)CCOc2ccccc2)CN1C(C)=O.
What is the InChIKey of 1-acetyl-N-ethyl-4-(3-phenoxypropanoylamino)pyrrolidine-2-carboxamide?
The InChIKey is RNXABKGPGBKRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-3-19-18(24)16-11-14(12-21(16)13(2)22)20-17(23)9-10-25-15-7-5-4-6-8-15/h4-8,14,16H,3,9-12H2,1-2H3,(H,19,24)(H,20,23).
What are the key properties of 1-acetyl-N-ethyl-4-(3-phenoxypropanoylamino)pyrrolidine-2-carboxamide?
1-acetyl-N-ethyl-4-(3-phenoxypropanoylamino)pyrrolidine-2-carboxamide has a molecular weight of 347.41 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-ethyl-4-(3-phenoxypropanoylamino)pyrrolidine-2-carboxamide is sourced from PubChem (CID 156604328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).