2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide

C15H31N3O2 — CID 62974573

IUPAC2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide
SMILESCCCNC(C)(CCCN1CCCOC(C)C1)C(N)=O
InChIInChI=1S/C15H31N3O2/c1-4-8-17-15(3,14(16)19)7-5-9-18-10-6-11-20-13(2)12-18/h13,17H,4-12H2,1-3H3,(H2,16,19)
InChIKeyAXKKELNXAUKUHG-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.12
Rot. Bonds8

About 2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide

2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide (PubChem CID 62974573) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide.

Molecular Properties

Compound Name2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide
PubChem CID62974573
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide
SMILESCCCNC(C)(CCCN1CCCOC(C)C1)C(N)=O
InChIInChI=1S/C15H31N3O2/c1-4-8-17-15(3,14(16)19)7-5-9-18-10-6-11-20-13(2)12-18/h13,17H,4-12H2,1-3H3,(H2,16,19)
InChIKeyAXKKELNXAUKUHG-UHFFFAOYSA-N
XLogP1.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)butanoate
CID 62973496
5-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 63635938
5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide
CID 106588668
6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexanamide
CID 102966457
2-ethyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanenitrile
CID 106803549
2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)hexanoic acid
CID 62974040
2-ethyl-5-(2-methylmorpholin-4-yl)-2-(propylamino)pentan-1-ol
CID 106809096
4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide
CID 63583172
N'-hydroxy-2,2-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
CID 77063916
methyl 2-(ethylamino)-2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
CID 62973499
2-methyl-5-(1,4-oxazepan-4-yl)-2-(propylamino)pentanoic acid
CID 62973505
2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide
CID 65258854

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide?
The IUPAC name of 2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide (CID 62974573) is 2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide.
What is the SMILES notation for 2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide?
The canonical SMILES for 2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide is CCCNC(C)(CCCN1CCCOC(C)C1)C(N)=O.
What is the InChIKey of 2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide?
The InChIKey is AXKKELNXAUKUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-4-8-17-15(3,14(16)19)7-5-9-18-10-6-11-20-13(2)12-18/h13,17H,4-12H2,1-3H3,(H2,16,19).
What are the key properties of 2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide?
2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide has a molecular weight of 285.43 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide is sourced from PubChem (CID 62974573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).