1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N,N-diethylpyrrolidine-3-carboxamide

C21H30N2O4 — CID 42830397

IUPAC1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N,N-diethylpyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CN(C(=O)C2CC2)CC1c1cc(OC)ccc1OC
InChIInChI=1S/C21H30N2O4/c1-5-22(6-2)21(25)18-13-23(20(24)14-7-8-14)12-17(18)16-11-15(26-3)9-10-19(16)27-4/h9-11,14,17-18H,5-8,12-13H2,1-4H3
InChIKeyITFPOVOKYQPNNH-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.52
Rot. Bonds7

About 1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N,N-diethylpyrrolidine-3-carboxamide

1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N,N-diethylpyrrolidine-3-carboxamide (PubChem CID 42830397) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N,N-diethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N,N-diethylpyrrolidine-3-carboxamide
PubChem CID42830397
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N,N-diethylpyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CN(C(=O)C2CC2)CC1c1cc(OC)ccc1OC
InChIInChI=1S/C21H30N2O4/c1-5-22(6-2)21(25)18-13-23(20(24)14-7-8-14)12-17(18)16-11-15(26-3)9-10-19(16)27-4/h9-11,14,17-18H,5-8,12-13H2,1-4H3
InChIKeyITFPOVOKYQPNNH-UHFFFAOYSA-N
XLogP2.52
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 93150748
(3S,4R)-1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide
CID 93150633
4-(2,5-dimethoxyphenyl)-N-ethyl-1-(4-methoxybenzoyl)-N-methylpyrrolidine-3-carboxamide
CID 42681611
1-[(3S,4R)-3-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 93153864
cyclopropyl-[(3R,4S)-3-(2,5-dimethoxyphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 93154682
(3S,4S)-1-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93154703
cyclopentyl-[(3R,4R)-3-(2,4-dimethoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 93154878
(3S,4R)-1-(cyclopropanecarbonyl)-N-ethyl-N-methyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 93150251
1-[(3S,4R)-3-(2,5-dimethoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 93153820
(3S,4S)-1-(cyclopropanecarbonyl)-4-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 93154740
N-butyl-1-(cyclopentanecarbonyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 42681986
1-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 42681566

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N,N-diethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N,N-diethylpyrrolidine-3-carboxamide (CID 42830397) is 1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N,N-diethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N,N-diethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N,N-diethylpyrrolidine-3-carboxamide is CCN(CC)C(=O)C1CN(C(=O)C2CC2)CC1c1cc(OC)ccc1OC.
What is the InChIKey of 1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N,N-diethylpyrrolidine-3-carboxamide?
The InChIKey is ITFPOVOKYQPNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-5-22(6-2)21(25)18-13-23(20(24)14-7-8-14)12-17(18)16-11-15(26-3)9-10-19(16)27-4/h9-11,14,17-18H,5-8,12-13H2,1-4H3.
What are the key properties of 1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N,N-diethylpyrrolidine-3-carboxamide?
1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N,N-diethylpyrrolidine-3-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N,N-diethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42830397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).