4-(aminomethyl)-N-(2-oxoazepan-3-yl)oxane-4-carboxamide

C13H23N3O3 — CID 115439051

IUPAC4-(aminomethyl)-N-(2-oxoazepan-3-yl)oxane-4-carboxamide
SMILESNCC1(C(=O)NC2CCCCNC2=O)CCOCC1
InChIInChI=1S/C13H23N3O3/c14-9-13(4-7-19-8-5-13)12(18)16-10-3-1-2-6-15-11(10)17/h10H,1-9,14H2,(H,15,17)(H,16,18)
InChIKeyOBURFPGEFVGOEI-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.47
Rot. Bonds3

About 4-(aminomethyl)-N-(2-oxoazepan-3-yl)oxane-4-carboxamide

4-(aminomethyl)-N-(2-oxoazepan-3-yl)oxane-4-carboxamide (PubChem CID 115439051) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-oxoazepan-3-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-oxoazepan-3-yl)oxane-4-carboxamide
PubChem CID115439051
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-(aminomethyl)-N-(2-oxoazepan-3-yl)oxane-4-carboxamide
SMILESNCC1(C(=O)NC2CCCCNC2=O)CCOCC1
InChIInChI=1S/C13H23N3O3/c14-9-13(4-7-19-8-5-13)12(18)16-10-3-1-2-6-15-11(10)17/h10H,1-9,14H2,(H,15,17)(H,16,18)
InChIKeyOBURFPGEFVGOEI-UHFFFAOYSA-N
XLogP-0.47
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(2-oxoazepan-3-yl)cyclobutane-1-carboxamide
CID 115447574
1-amino-N-(2-oxoazepan-3-yl)cyclohexane-1-carboxamide
CID 43704094
1-amino-N-(2-oxopiperidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119307987
N-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide
CID 55164946
1-amino-N-(2-oxopiperidin-3-yl)cyclopropane-1-carboxamide
CID 65466237
4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide
CID 107221619
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide
CID 63363409
4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide
CID 79870065
3-amino-2,2-dimethyl-N-(2-oxoazepan-3-yl)propanamide
CID 81490080
3-[(3-hydroxyoxolan-3-yl)methylamino]azepan-2-one
CID 106100788
4-methoxy-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide
CID 119708546

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-oxoazepan-3-yl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2-oxoazepan-3-yl)oxane-4-carboxamide (CID 115439051) is 4-(aminomethyl)-N-(2-oxoazepan-3-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-oxoazepan-3-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-oxoazepan-3-yl)oxane-4-carboxamide is NCC1(C(=O)NC2CCCCNC2=O)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-oxoazepan-3-yl)oxane-4-carboxamide?
The InChIKey is OBURFPGEFVGOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c14-9-13(4-7-19-8-5-13)12(18)16-10-3-1-2-6-15-11(10)17/h10H,1-9,14H2,(H,15,17)(H,16,18).
What are the key properties of 4-(aminomethyl)-N-(2-oxoazepan-3-yl)oxane-4-carboxamide?
4-(aminomethyl)-N-(2-oxoazepan-3-yl)oxane-4-carboxamide has a molecular weight of 269.34 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-oxoazepan-3-yl)oxane-4-carboxamide is sourced from PubChem (CID 115439051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).