4-(ethylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]oxolane-3-carboxamide

C15H31N3O2 — CID 66259488

IUPAC4-(ethylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCCCCN(C)C(C)C
InChIInChI=1S/C15H31N3O2/c1-5-16-14-11-20-10-13(14)15(19)17-8-6-7-9-18(4)12(2)3/h12-14,16H,5-11H2,1-4H3,(H,17,19)
InChIKeyGONIWFRPANGJFS-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.85
Rot. Bonds9

About 4-(ethylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]oxolane-3-carboxamide

4-(ethylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]oxolane-3-carboxamide (PubChem CID 66259488) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 4-(ethylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]oxolane-3-carboxamide
PubChem CID66259488
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name4-(ethylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCCCCN(C)C(C)C
InChIInChI=1S/C15H31N3O2/c1-5-16-14-11-20-10-13(14)15(19)17-8-6-7-9-18(4)12(2)3/h12-14,16H,5-11H2,1-4H3,(H,17,19)
InChIKeyGONIWFRPANGJFS-UHFFFAOYSA-N
XLogP0.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(ethylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]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-[2-(dimethylamino)ethyl]-4-(ethylamino)oxolane-3-carboxamide
CID 66257864
4-(ethylamino)-N-[3-[ethyl(methylsulfonyl)amino]propyl]oxolane-3-carboxamide
CID 66259278
7-[[4-(ethylamino)oxolane-3-carbonyl]amino]heptanoic acid
CID 66257729
4-(ethylamino)-N-(3-propoxypropyl)oxolane-3-carboxamide
CID 82941679
4-(ethylamino)-N-(5-methylsulfanylpentyl)oxolane-3-carboxamide
CID 114127316
4-(ethylamino)-N-pent-4-ynyloxolane-3-carboxamide
CID 106221939
N-(2-cyclopropylpropyl)-4-(ethylamino)oxolane-3-carboxamide
CID 113475270
4-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxybutanoic acid
CID 107836138
N-(cyclopropylmethyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258449
6-[[4-(ethylamino)oxolane-3-carbonyl]amino]-4-methylhexanoic acid
CID 66257371
3-[[4-(ethylamino)oxolane-3-carbonyl]amino]-2-hydroxypropanoic acid
CID 66260092
4-(ethylamino)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxolane-3-carboxamide
CID 66257930

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]oxolane-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]oxolane-3-carboxamide (CID 66259488) is 4-(ethylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]oxolane-3-carboxamide is CCNC1COCC1C(=O)NCCCCN(C)C(C)C.
What is the InChIKey of 4-(ethylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]oxolane-3-carboxamide?
The InChIKey is GONIWFRPANGJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-5-16-14-11-20-10-13(14)15(19)17-8-6-7-9-18(4)12(2)3/h12-14,16H,5-11H2,1-4H3,(H,17,19).
What are the key properties of 4-(ethylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]oxolane-3-carboxamide?
4-(ethylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]oxolane-3-carboxamide has a molecular weight of 285.43 g/mol, XLogP of 0.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[4-[methyl(propan-2-yl)amino]butyl]oxolane-3-carboxamide is sourced from PubChem (CID 66259488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).