4-amino-N-[3-(N-ethylanilino)propyl]oxolane-3-carboxamide

C16H25N3O2 — CID 66237884

IUPAC4-amino-N-[3-(N-ethylanilino)propyl]oxolane-3-carboxamide
SMILESCCN(CCCNC(=O)C1COCC1N)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-2-19(13-7-4-3-5-8-13)10-6-9-18-16(20)14-11-21-12-15(14)17/h3-5,7-8,14-15H,2,6,9-12,17H2,1H3,(H,18,20)
InChIKeyNBTSCVDEVJJHEB-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.99
Rot. Bonds7

About 4-amino-N-[3-(N-ethylanilino)propyl]oxolane-3-carboxamide

4-amino-N-[3-(N-ethylanilino)propyl]oxolane-3-carboxamide (PubChem CID 66237884) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-amino-N-[3-(N-ethylanilino)propyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(N-ethylanilino)propyl]oxolane-3-carboxamide
PubChem CID66237884
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-amino-N-[3-(N-ethylanilino)propyl]oxolane-3-carboxamide
SMILESCCN(CCCNC(=O)C1COCC1N)c1ccccc1
InChIInChI=1S/C16H25N3O2/c1-2-19(13-7-4-3-5-8-13)10-6-9-18-16(20)14-11-21-12-15(14)17/h3-5,7-8,14-15H,2,6,9-12,17H2,1H3,(H,18,20)
InChIKeyNBTSCVDEVJJHEB-UHFFFAOYSA-N
XLogP0.99
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(N-ethylanilino)propylurea
CID 112708177
(2S,5R)-5-(aminomethyl)-N-[3-(N-ethylanilino)propyl]oxolane-2-carboxamide;dihydrochloride
CID 120797271
4-amino-N-hexyloxolane-3-carboxamide
CID 66238816
N-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide
CID 63005189
N-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide
CID 60717546
methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561
N-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide
CID 61259552
N-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712509
(2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61258840
2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61259917
N-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32795265
2-amino-N-[3-(N-ethylanilino)propyl]pentanamide
CID 61260460

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(N-ethylanilino)propyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[3-(N-ethylanilino)propyl]oxolane-3-carboxamide (CID 66237884) is 4-amino-N-[3-(N-ethylanilino)propyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(N-ethylanilino)propyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-(N-ethylanilino)propyl]oxolane-3-carboxamide is CCN(CCCNC(=O)C1COCC1N)c1ccccc1.
What is the InChIKey of 4-amino-N-[3-(N-ethylanilino)propyl]oxolane-3-carboxamide?
The InChIKey is NBTSCVDEVJJHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-19(13-7-4-3-5-8-13)10-6-9-18-16(20)14-11-21-12-15(14)17/h3-5,7-8,14-15H,2,6,9-12,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-N-[3-(N-ethylanilino)propyl]oxolane-3-carboxamide?
4-amino-N-[3-(N-ethylanilino)propyl]oxolane-3-carboxamide has a molecular weight of 291.39 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 4-amino-N-[3-(N-ethylanilino)propyl]oxolane-3-carboxamide is sourced from PubChem (CID 66237884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).