3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide

C14H20N4O3 — CID 64891106

IUPAC3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide
SMILESCC(NC(=O)C1(N)CCOC1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H20N4O3/c1-9(17-12(19)14(16)6-7-21-8-14)10-2-4-11(5-3-10)18-13(15)20/h2-5,9H,6-8,16H2,1H3,(H,17,19)(H3,15,18,20)
InChIKeyVASDZIDAGQQWKY-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.47
Rot. Bonds4

About 3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide

3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide (PubChem CID 64891106) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide
PubChem CID64891106
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide
SMILESCC(NC(=O)C1(N)CCOC1)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H20N4O3/c1-9(17-12(19)14(16)6-7-21-8-14)10-2-4-11(5-3-10)18-13(15)20/h2-5,9H,6-8,16H2,1H3,(H,17,19)(H3,15,18,20)
InChIKeyVASDZIDAGQQWKY-UHFFFAOYSA-N
XLogP0.47
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(1S)-1-[(3-aminooxolane-3-carbonyl)amino]ethyl]benzoate;hydrochloride
CID 163364958
3-amino-N-[1-(3,4-difluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892108
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115295221
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115295213
4-amino-N-[(1R)-1-phenylethyl]oxane-4-carboxamide
CID 113280798
3-amino-N-[1-(3-fluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892785
3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]oxolane-3-carboxamide
CID 64891134
3-amino-N-[1-(2,6-difluorophenyl)ethyl]oxolane-3-carboxamide
CID 64892539
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
CID 81380051
3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 64892097
3-amino-N-(4-carbamoylphenyl)oxolane-3-carboxamide
CID 64891880
1-(aminomethyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119721956

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide (CID 64891106) is 3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide is CC(NC(=O)C1(N)CCOC1)c1ccc(NC(N)=O)cc1.
What is the InChIKey of 3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide?
The InChIKey is VASDZIDAGQQWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9(17-12(19)14(16)6-7-21-8-14)10-2-4-11(5-3-10)18-13(15)20/h2-5,9H,6-8,16H2,1H3,(H,17,19)(H3,15,18,20).
What are the key properties of 3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide?
3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 0.47, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 64891106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).