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

C15H22N2O4 — CID 125130524

IUPAC(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
SMILESCOC[C@H]1CCN(C(=O)Nc2ccc(OC)cc2OC)C1
InChIInChI=1S/C15H22N2O4/c1-19-10-11-6-7-17(9-11)15(18)16-13-5-4-12(20-2)8-14(13)21-3/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyFLZSMHCNWKOTPT-NSHDSACASA-N
MW294.35 g/mol
LogP2.20
Rot. Bonds5

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

(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide (PubChem CID 125130524) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
PubChem CID125130524
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
SMILESCOC[C@H]1CCN(C(=O)Nc2ccc(OC)cc2OC)C1
InChIInChI=1S/C15H22N2O4/c1-19-10-11-6-7-17(9-11)15(18)16-13-5-4-12(20-2)8-14(13)21-3/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyFLZSMHCNWKOTPT-NSHDSACASA-N
XLogP2.20
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-5-methoxybenzoic acid
CID 115965839
N-(2,4-dimethoxyphenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71992851
N-(2,4-dimethoxyphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidine-1-carboxamide
CID 90495545
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
5-fluoro-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64599438
N-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443203
N-(5-chloro-2-methoxyphenyl)-4-(methoxymethyl)piperidine-1-carboxamide
CID 121091740
3-fluoro-4-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597823
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597013
N-(2,4-dimethoxyphenyl)-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106186
N-(2,4-dimethoxyphenyl)-3-(2,5-dioxoimidazolidin-1-yl)pyrrolidine-1-carboxamide
CID 121160046
3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 20907631

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide (CID 125130524) is (3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide is COC[C@H]1CCN(C(=O)Nc2ccc(OC)cc2OC)C1.
What is the InChIKey of (3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is FLZSMHCNWKOTPT-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O4/c1-19-10-11-6-7-17(9-11)15(18)16-13-5-4-12(20-2)8-14(13)21-3/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide?
(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 125130524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).