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

C15H21N3O3 — CID 66250037

IUPAC4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)C2(C)COCC2N)cc1
InChIInChI=1S/C15H21N3O3/c1-3-17-13(19)10-4-6-11(7-5-10)18-14(20)15(2)9-21-8-12(15)16/h4-7,12H,3,8-9,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUIGWUQDQCBCIOK-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.74
Rot. Bonds4

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

4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide (PubChem CID 66250037) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
PubChem CID66250037
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide
SMILESCCNC(=O)c1ccc(NC(=O)C2(C)COCC2N)cc1
InChIInChI=1S/C15H21N3O3/c1-3-17-13(19)10-4-6-11(7-5-10)18-14(20)15(2)9-21-8-12(15)16/h4-7,12H,3,8-9,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUIGWUQDQCBCIOK-UHFFFAOYSA-N
XLogP0.74
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methyl-N-[4-(methylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66250609
4-amino-N-[4-(diethylamino)phenyl]-3-methyloxolane-3-carboxamide
CID 66249241
4-amino-N-(3-bromo-4-methylphenyl)-3-methyloxolane-3-carboxamide
CID 66264602
(E)-3-[4-[(4-amino-3-methyloxolane-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115342275
4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-N-ethylbenzamide
CID 115452592
4-amino-N-(1-ethylpyrazol-4-yl)-3-methyloxolane-3-carboxamide
CID 66249426
4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide
CID 66250197
4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120922928
4-amino-N-(4-chloro-3-cyanophenyl)-3-methyloxolane-3-carboxamide
CID 66248652
4-amino-N-[3-(2-methoxyethoxy)phenyl]-3-methyloxolane-3-carboxamide
CID 66250431
(4-amino-3-methyloxolan-3-yl)-(4-ethylphenyl)methanone
CID 116563259
4-amino-N-[2-(ethylamino)-2-oxoethyl]-3-methyloxolane-3-carboxamide
CID 66250212

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide (CID 66250037) is 4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide is CCNC(=O)c1ccc(NC(=O)C2(C)COCC2N)cc1.
What is the InChIKey of 4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide?
The InChIKey is UIGWUQDQCBCIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-17-13(19)10-4-6-11(7-5-10)18-14(20)15(2)9-21-8-12(15)16/h4-7,12H,3,8-9,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide?
4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(ethylcarbamoyl)phenyl]-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66250037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).