N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(propylamino)oxolane-3-carboxamide

C16H31N3O2 — CID 83112481

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCC1(N(C)C)CCCC1
InChIInChI=1S/C16H31N3O2/c1-4-9-17-14-11-21-10-13(14)15(20)18-12-16(19(2)3)7-5-6-8-16/h13-14,17H,4-12H2,1-3H3,(H,18,20)
InChIKeyNUMGHUSUMMROQV-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.99
Rot. Bonds7

About N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(propylamino)oxolane-3-carboxamide

N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(propylamino)oxolane-3-carboxamide (PubChem CID 83112481) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-4-(propylamino)oxolane-3-carboxamide
PubChem CID83112481
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)NCC1(N(C)C)CCCC1
InChIInChI=1S/C16H31N3O2/c1-4-9-17-14-11-21-10-13(14)15(20)18-12-16(19(2)3)7-5-6-8-16/h13-14,17H,4-12H2,1-3H3,(H,18,20)
InChIKeyNUMGHUSUMMROQV-UHFFFAOYSA-N
XLogP0.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(propylamino)oxolane-3-carboxamide 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

N-[(1-methylcyclopentyl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 66257137
N-(1-methylcyclopentyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255020
N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110481
N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110182
N-propan-2-yl-4-(propylamino)oxolane-3-carboxamide
CID 66254772
N-(2-cyclopropylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256756
4-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxolane-3-carboxamide
CID 103966758
4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 66257134
N-[(2-methylcyclopentyl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 107418568
N-(2,2-dimethoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255397
N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide
CID 114154209
N-(oxan-3-ylmethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256717

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(propylamino)oxolane-3-carboxamide (CID 83112481) is N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)NCC1(N(C)C)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is NUMGHUSUMMROQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-9-17-14-11-21-10-13(14)15(20)18-12-16(19(2)3)7-5-6-8-16/h13-14,17H,4-12H2,1-3H3,(H,18,20).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(propylamino)oxolane-3-carboxamide?
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 83112481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).