(3S,4S)-1-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide

C21H28N2O4 — CID 93154703

IUPAC(3S,4S)-1-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc([C@H]2CN(C(=O)C3CC3)C[C@H]2C(=O)NCC2CC2)c(OC)c1
InChIInChI=1S/C21H28N2O4/c1-26-15-7-8-16(19(9-15)27-2)17-11-23(21(25)14-5-6-14)12-18(17)20(24)22-10-13-3-4-13/h7-9,13-14,17-18H,3-6,10-12H2,1-2H3,(H,22,24)/t17-,18-/m1/s1
InChIKeyADLJAVAWTZAZEZ-QZTJIDSGSA-N
MW372.47 g/mol
LogP2.18
Rot. Bonds7

About (3S,4S)-1-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide

(3S,4S)-1-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 93154703) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is (3S,4S)-1-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID93154703
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(3S,4S)-1-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc([C@H]2CN(C(=O)C3CC3)C[C@H]2C(=O)NCC2CC2)c(OC)c1
InChIInChI=1S/C21H28N2O4/c1-26-15-7-8-16(19(9-15)27-2)17-11-23(21(25)14-5-6-14)12-18(17)20(24)22-10-13-3-4-13/h7-9,13-14,17-18H,3-6,10-12H2,1-2H3,(H,22,24)/t17-,18-/m1/s1
InChIKeyADLJAVAWTZAZEZ-QZTJIDSGSA-N
XLogP2.18
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-(cyclopropanecarbonyl)-4-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 93154740
N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide
CID 42681947
N-butyl-1-(cyclopentanecarbonyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
CID 42681986
(3R,4S)-1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 93150748
cyclopentyl-[(3R,4R)-3-(2,4-dimethoxyphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 93154878
4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1-propanoylpyrrolidine-3-carboxamide
CID 42830404
(3S,4R)-1-(cyclopropanecarbonyl)-4-(2,5-dimethoxyphenyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide
CID 93150633
N-(cyclopropylmethyl)-1-(4-methoxybenzoyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42828357
(3S,4R)-4-(2,4-dimethoxyphenyl)-1-(2-methylpropanoyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide
CID 93154020
(3S,4R)-N-(cyclopropylmethyl)-4-(2,3-dimethoxyphenyl)-1-(3-methoxybenzoyl)pyrrolidine-3-carboxamide
CID 93152392
(3S,4S)-4-(2,4-dimethoxyphenyl)-N-(3-methylbutyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxamide
CID 93154716
1-(cyclopropanecarbonyl)-4-(2-methoxyphenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
CID 42829641

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide (CID 93154703) is (3S,4S)-1-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide is COc1ccc([C@H]2CN(C(=O)C3CC3)C[C@H]2C(=O)NCC2CC2)c(OC)c1.
What is the InChIKey of (3S,4S)-1-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is ADLJAVAWTZAZEZ-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-26-15-7-8-16(19(9-15)27-2)17-11-23(21(25)14-5-6-14)12-18(17)20(24)22-10-13-3-4-13/h7-9,13-14,17-18H,3-6,10-12H2,1-2H3,(H,22,24)/t17-,18-/m1/s1.
What are the key properties of (3S,4S)-1-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide?
(3S,4S)-1-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(cyclopropanecarbonyl)-N-(cyclopropylmethyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 93154703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).