4-amino-N-[3-(diethylaminomethyl)phenyl]oxolane-3-carboxamide

C16H25N3O2 — CID 66240637

IUPAC4-amino-N-[3-(diethylaminomethyl)phenyl]oxolane-3-carboxamide
SMILESCCN(CC)Cc1cccc(NC(=O)C2COCC2N)c1
InChIInChI=1S/C16H25N3O2/c1-3-19(4-2)9-12-6-5-7-13(8-12)18-16(20)14-10-21-11-15(14)17/h5-8,14-15H,3-4,9-11,17H2,1-2H3,(H,18,20)
InChIKeySIEFORPBNYUYQI-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.44
Rot. Bonds6

About 4-amino-N-[3-(diethylaminomethyl)phenyl]oxolane-3-carboxamide

4-amino-N-[3-(diethylaminomethyl)phenyl]oxolane-3-carboxamide (PubChem CID 66240637) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-amino-N-[3-(diethylaminomethyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(diethylaminomethyl)phenyl]oxolane-3-carboxamide
PubChem CID66240637
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-amino-N-[3-(diethylaminomethyl)phenyl]oxolane-3-carboxamide
SMILESCCN(CC)Cc1cccc(NC(=O)C2COCC2N)c1
InChIInChI=1S/C16H25N3O2/c1-3-19(4-2)9-12-6-5-7-13(8-12)18-16(20)14-10-21-11-15(14)17/h5-8,14-15H,3-4,9-11,17H2,1-2H3,(H,18,20)
InChIKeySIEFORPBNYUYQI-UHFFFAOYSA-N
XLogP1.44
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(diethylaminomethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119852810
4-amino-N-[3-(methoxymethyl)phenyl]oxolane-3-carboxamide
CID 66240217
2-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]acetic acid
CID 66237312
3-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]propanoic acid
CID 115339875
2-[[3-(diethylaminomethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941731
N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43711978
4-amino-N-(3-sulfamoylphenyl)oxolane-3-carboxamide
CID 66239997
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-3-carboxamide
CID 63005422
4-amino-N-[3-(1,2,4-triazol-4-yl)phenyl]oxolane-3-carboxamide
CID 66240428
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43433017
4-(aminomethyl)-N-[3-(diethylaminomethyl)phenyl]oxane-4-carboxamide;dihydrochloride
CID 120939342
4-amino-N-(4-ethoxyphenyl)oxolane-3-carboxamide
CID 66241179

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(diethylaminomethyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[3-(diethylaminomethyl)phenyl]oxolane-3-carboxamide (CID 66240637) is 4-amino-N-[3-(diethylaminomethyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(diethylaminomethyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-(diethylaminomethyl)phenyl]oxolane-3-carboxamide is CCN(CC)Cc1cccc(NC(=O)C2COCC2N)c1.
What is the InChIKey of 4-amino-N-[3-(diethylaminomethyl)phenyl]oxolane-3-carboxamide?
The InChIKey is SIEFORPBNYUYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-19(4-2)9-12-6-5-7-13(8-12)18-16(20)14-10-21-11-15(14)17/h5-8,14-15H,3-4,9-11,17H2,1-2H3,(H,18,20).
What are the key properties of 4-amino-N-[3-(diethylaminomethyl)phenyl]oxolane-3-carboxamide?
4-amino-N-[3-(diethylaminomethyl)phenyl]oxolane-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(diethylaminomethyl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 66240637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).