N-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide

C14H25N3O2 — CID 55164946

IUPACN-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NC2CCCCNC2=O)CCNC1
InChIInChI=1S/C14H25N3O2/c1-2-6-14(7-9-15-10-14)13(19)17-11-5-3-4-8-16-12(11)18/h11,15H,2-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyOTRHZWMEYQSCME-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.55
Rot. Bonds4

About N-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide

N-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 55164946) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide
PubChem CID55164946
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NC2CCCCNC2=O)CCNC1
InChIInChI=1S/C14H25N3O2/c1-2-6-14(7-9-15-10-14)13(19)17-11-5-3-4-8-16-12(11)18/h11,15H,2-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyOTRHZWMEYQSCME-UHFFFAOYSA-N
XLogP0.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-propylpyrrolidine-3-carboxamide
CID 63141137
N-cyclobutyl-3-propylpyrrolidine-3-carboxamide
CID 63142561
1-(aminomethyl)-N-(2-oxoazepan-3-yl)cyclobutane-1-carboxamide
CID 115447574
3-propyl-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
CID 63140425
N-[2-(hydroxymethyl)cyclohexyl]-3-propylpyrrolidine-3-carboxamide
CID 106361369
4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide
CID 119708546
N-(6-oxopiperidin-3-yl)-3-propylpyrrolidine-3-carboxamide
CID 55247011
4-methyl-N-(2-oxopiperidin-3-yl)piperidine-4-carboxamide
CID 55176788
1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide
CID 43704094
4-(aminomethyl)-N-(2-oxoazepan-3-yl)oxane-4-carboxamide
CID 115439051
N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63141088
N-(1,1-dioxothian-4-yl)-3-propylpiperidine-3-carboxamide
CID 63130418

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide (CID 55164946) is N-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)NC2CCCCNC2=O)CCNC1.
What is the InChIKey of N-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is OTRHZWMEYQSCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-6-14(7-9-15-10-14)13(19)17-11-5-3-4-8-16-12(11)18/h11,15H,2-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide?
N-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55164946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).