N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide

C16H20N2O3 — CID 30179617

IUPACN-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1)C1CCOCC1
InChIInChI=1S/C16H20N2O3/c19-15(11-1-2-11)17-13-3-5-14(6-4-13)18-16(20)12-7-9-21-10-8-12/h3-6,11-12H,1-2,7-10H2,(H,17,19)(H,18,20)
InChIKeyJKIKNARCTJURNS-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.40
Rot. Bonds4

About N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide

N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide (PubChem CID 30179617) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
PubChem CID30179617
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1)C1CCOCC1
InChIInChI=1S/C16H20N2O3/c19-15(11-1-2-11)17-13-3-5-14(6-4-13)18-16(20)12-7-9-21-10-8-12/h3-6,11-12H,1-2,7-10H2,(H,17,19)(H,18,20)
InChIKeyJKIKNARCTJURNS-UHFFFAOYSA-N
XLogP2.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
N-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 51188941
N-(3,4-difluorophenyl)oxane-4-carboxamide
CID 31963323
N-[4-(2,6-dimethylanilino)phenyl]oxane-4-carboxamide
CID 112986425
N-[4-(3-methylbutanoylamino)phenyl]oxane-4-carboxamide
CID 30753597
2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 62033736
N-[4-(difluoromethylsulfonyl)phenyl]oxane-4-carboxamide
CID 31972791
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[3-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide
CID 51337572
N-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
CID 113007421
N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
CID 113007205
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)oxane-4-carboxamide
CID 63901725

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide (CID 30179617) is N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide is O=C(Nc1ccc(NC(=O)C2CC2)cc1)C1CCOCC1.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide?
The InChIKey is JKIKNARCTJURNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(11-1-2-11)17-13-3-5-14(6-4-13)18-16(20)12-7-9-21-10-8-12/h3-6,11-12H,1-2,7-10H2,(H,17,19)(H,18,20).
What are the key properties of N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide?
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 30179617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).