2-acetamido-N-[1-(1-benzoylpyrrolidin-3-yl)cyclopropyl]-3-methoxypropanamide

C20H27N3O4 — CID 167988599

IUPAC2-acetamido-N-[1-(1-benzoylpyrrolidin-3-yl)cyclopropyl]-3-methoxypropanamide
SMILESCOCC(NC(C)=O)C(=O)NC1(C2CCN(C(=O)c3ccccc3)C2)CC1
InChIInChI=1S/C20H27N3O4/c1-14(24)21-17(13-27-2)18(25)22-20(9-10-20)16-8-11-23(12-16)19(26)15-6-4-3-5-7-15/h3-7,16-17H,8-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyJWDJEWTYOYOZSF-UHFFFAOYSA-N
MW373.45 g/mol
LogP0.95
Rot. Bonds7

About 2-acetamido-N-[1-(1-benzoylpyrrolidin-3-yl)cyclopropyl]-3-methoxypropanamide

2-acetamido-N-[1-(1-benzoylpyrrolidin-3-yl)cyclopropyl]-3-methoxypropanamide (PubChem CID 167988599) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-acetamido-N-[1-(1-benzoylpyrrolidin-3-yl)cyclopropyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(1-benzoylpyrrolidin-3-yl)cyclopropyl]-3-methoxypropanamide
PubChem CID167988599
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name2-acetamido-N-[1-(1-benzoylpyrrolidin-3-yl)cyclopropyl]-3-methoxypropanamide
SMILESCOCC(NC(C)=O)C(=O)NC1(C2CCN(C(=O)c3ccccc3)C2)CC1
InChIInChI=1S/C20H27N3O4/c1-14(24)21-17(13-27-2)18(25)22-20(9-10-20)16-8-11-23(12-16)19(26)15-6-4-3-5-7-15/h3-7,16-17H,8-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyJWDJEWTYOYOZSF-UHFFFAOYSA-N
XLogP0.95
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(1-benzoylpiperidin-4-yl)methyl]-3-methoxypropanamide;hydrochloride
CID 120990471
methyl N-[(3S)-1-benzoylpyrrolidin-3-yl]carbamate
CID 124575994
(3,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115871745
2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 652749
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 46020448
2-(1-benzoylpiperidin-4-yl)-3-methoxypropanoic acid;tert-butyl N-[1-benzoyl-4-(methoxymethyl)piperidin-4-yl]carbamate
CID 161385520
1-(1-benzoylpyrrolidin-3-yl)-3-propan-2-ylurea
CID 53016498
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394794
[(3R)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394793
N-[(1R)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 93199300
N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide
CID 93196580

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(1-benzoylpyrrolidin-3-yl)cyclopropyl]-3-methoxypropanamide?
The IUPAC name of 2-acetamido-N-[1-(1-benzoylpyrrolidin-3-yl)cyclopropyl]-3-methoxypropanamide (CID 167988599) is 2-acetamido-N-[1-(1-benzoylpyrrolidin-3-yl)cyclopropyl]-3-methoxypropanamide.
What is the SMILES notation for 2-acetamido-N-[1-(1-benzoylpyrrolidin-3-yl)cyclopropyl]-3-methoxypropanamide?
The canonical SMILES for 2-acetamido-N-[1-(1-benzoylpyrrolidin-3-yl)cyclopropyl]-3-methoxypropanamide is COCC(NC(C)=O)C(=O)NC1(C2CCN(C(=O)c3ccccc3)C2)CC1.
What is the InChIKey of 2-acetamido-N-[1-(1-benzoylpyrrolidin-3-yl)cyclopropyl]-3-methoxypropanamide?
The InChIKey is JWDJEWTYOYOZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-14(24)21-17(13-27-2)18(25)22-20(9-10-20)16-8-11-23(12-16)19(26)15-6-4-3-5-7-15/h3-7,16-17H,8-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2-acetamido-N-[1-(1-benzoylpyrrolidin-3-yl)cyclopropyl]-3-methoxypropanamide?
2-acetamido-N-[1-(1-benzoylpyrrolidin-3-yl)cyclopropyl]-3-methoxypropanamide has a molecular weight of 373.45 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(1-benzoylpyrrolidin-3-yl)cyclopropyl]-3-methoxypropanamide is sourced from PubChem (CID 167988599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).