N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide

C15H21N3O4 — CID 119295341

IUPACN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(CNC(=O)C2CCCN2)ccc1OCC(N)=O
InChIInChI=1S/C15H21N3O4/c1-21-13-7-10(4-5-12(13)22-9-14(16)19)8-18-15(20)11-3-2-6-17-11/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H2,16,19)(H,18,20)
InChIKeyBXUPODWYNIBFIH-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.07
Rot. Bonds7

About N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide

N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 119295341) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID119295341
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1cc(CNC(=O)C2CCCN2)ccc1OCC(N)=O
InChIInChI=1S/C15H21N3O4/c1-21-13-7-10(4-5-12(13)22-9-14(16)19)8-18-15(20)11-3-2-6-17-11/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H2,16,19)(H,18,20)
InChIKeyBXUPODWYNIBFIH-UHFFFAOYSA-N
XLogP-0.07
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119263557
(2S)-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 166226032
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 119285265
N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119263802
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119264764
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119
N-[(3,4-dimethoxyphenyl)methyl]azepane-4-carboxamide;hydrochloride
CID 154911557
2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
CID 129301598
methyl 2-[3-[(pyrrolidine-2-carbonylamino)methyl]phenoxy]acetate;hydrochloride
CID 119325642
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 119316734

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide (CID 119295341) is N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide is COc1cc(CNC(=O)C2CCCN2)ccc1OCC(N)=O.
What is the InChIKey of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is BXUPODWYNIBFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-21-13-7-10(4-5-12(13)22-9-14(16)19)8-18-15(20)11-3-2-6-17-11/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide?
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of -0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119295341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).