4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide

C16H25N3O2 — CID 66249241

IUPAC4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2(C)COCC2N)cc1
InChIInChI=1S/C16H25N3O2/c1-4-19(5-2)13-8-6-12(7-9-13)18-15(20)16(3)11-21-10-14(16)17/h6-9,14H,4-5,10-11,17H2,1-3H3,(H,18,20)
InChIKeyWWEOKBKMXPSPRT-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.84
Rot. Bonds5

About 4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide

4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide (PubChem CID 66249241) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide
PubChem CID66249241
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2(C)COCC2N)cc1
InChIInChI=1S/C16H25N3O2/c1-4-19(5-2)13-8-6-12(7-9-13)18-15(20)16(3)11-21-10-14(16)17/h6-9,14H,4-5,10-11,17H2,1-3H3,(H,18,20)
InChIKeyWWEOKBKMXPSPRT-UHFFFAOYSA-N
XLogP1.84
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66250037
4-amino-N-(4-ethoxyphenyl)-3-methyloxolane-3-carboxamide
CID 66248425
4-amino-3-methyl-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66250609
(E)-3-[4-[(4-amino-3-methyloxolane-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115342275
4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide
CID 66264602
4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide
CID 66248653
4-amino-N-(1-ethylpyrazol-4-yl)-3-methyloxolane-3-carboxamide
CID 66249426
4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide
CID 66248652
4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid
CID 107208126
4-amino-N-[2-(dimethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
CID 66249041
4-amino-3-methyl-N-[3-(sulfamoylamino)phenyl]oxolane-3-carboxamide
CID 66250424
4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide
CID 66250431

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide (CID 66249241) is 4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide is CCN(CC)c1ccc(NC(=O)C2(C)COCC2N)cc1.
What is the InChIKey of 4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide?
The InChIKey is WWEOKBKMXPSPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-19(5-2)13-8-6-12(7-9-13)18-15(20)16(3)11-21-10-14(16)17/h6-9,14H,4-5,10-11,17H2,1-3H3,(H,18,20).
What are the key properties of 4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide?
4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66249241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).