N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide

C20H29N3O3 — CID 71935966

IUPACN-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC2)cc1NC(=O)N1CCCCCCC1
InChIInChI=1S/C20H29N3O3/c1-26-18-10-9-16(19(24)22-11-7-8-12-22)15-17(18)21-20(25)23-13-5-3-2-4-6-14-23/h9-10,15H,2-8,11-14H2,1H3,(H,21,25)
InChIKeyGEROFOXHBXYQJO-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.73
Rot. Bonds3

About N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide

N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide (PubChem CID 71935966) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
PubChem CID71935966
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC2)cc1NC(=O)N1CCCCCCC1
InChIInChI=1S/C20H29N3O3/c1-26-18-10-9-16(19(24)22-11-7-8-12-22)15-17(18)21-20(25)23-13-5-3-2-4-6-14-23/h9-10,15H,2-8,11-14H2,1H3,(H,21,25)
InChIKeyGEROFOXHBXYQJO-UHFFFAOYSA-N
XLogP3.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119307348
4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 71926356
2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119182807
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 95178992
4-amino-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119307355
2-(4-aminophenyl)-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119755653
N-(2,5-dimethoxyphenyl)-4-(furan-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 72912569
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
ethyl 4-(3-acetamido-4-methoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110809030
1-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 71883148
N-(2-methoxy-5-nitrophenyl)pyrrolidine-1-carboxamide
CID 47191407
(3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone
CID 110761899

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide?
The IUPAC name of N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide (CID 71935966) is N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide?
The canonical SMILES for N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide is COc1ccc(C(=O)N2CCCC2)cc1NC(=O)N1CCCCCCC1.
What is the InChIKey of N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide?
The InChIKey is GEROFOXHBXYQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-26-18-10-9-16(19(24)22-11-7-8-12-22)15-17(18)21-20(25)23-13-5-3-2-4-6-14-23/h9-10,15H,2-8,11-14H2,1H3,(H,21,25).
What are the key properties of N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide?
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide is sourced from PubChem (CID 71935966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).