N-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide

C20H29N3O3 — CID 163340085

IUPACN-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCCC1COc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C20H29N3O3/c1-2-11-21-20(25)23-14-5-6-17(23)15-26-18-9-7-16(8-10-18)19(24)22-12-3-4-13-22/h7-10,17H,2-6,11-15H2,1H3,(H,21,25)
InChIKeyQAKJFWUAFHSOGD-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.89
Rot. Bonds6

About N-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide

N-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide (PubChem CID 163340085) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide
PubChem CID163340085
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide
SMILESCCCNC(=O)N1CCCC1COc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C20H29N3O3/c1-2-11-21-20(25)23-14-5-6-17(23)15-26-18-9-7-16(8-10-18)19(24)22-12-3-4-13-22/h7-10,17H,2-6,11-15H2,1H3,(H,21,25)
InChIKeyQAKJFWUAFHSOGD-UHFFFAOYSA-N
XLogP2.89
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[1-(4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 50846223
cyclopentyl-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]methanone
CID 50846638
2-cyclopropyl-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone
CID 163339605
4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812417
2-(methoxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 110874580
2-(2-chlorophenyl)-1-[2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidin-1-yl]ethanone
CID 163339600
[4-[[1-(4-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 163339902
4-[[(2R)-1-(4-methylbenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900722
N-(2-methoxyphenyl)-2-[[4-(morpholine-4-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide
CID 163340101
4-[[(2R)-1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-propan-2-ylbenzamide
CID 92900609
4-[[1-(4-chlorobenzoyl)pyrrolidin-2-yl]methoxy]-N-cyclopropylbenzamide
CID 50846259
[2-(aminomethyl)pyrrolidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
CID 119631878

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide (CID 163340085) is N-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide is CCCNC(=O)N1CCCC1COc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of N-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide?
The InChIKey is QAKJFWUAFHSOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-2-11-21-20(25)23-14-5-6-17(23)15-26-18-9-7-16(8-10-18)19(24)22-12-3-4-13-22/h7-10,17H,2-6,11-15H2,1H3,(H,21,25).
What are the key properties of N-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide?
N-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 163340085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).