N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide

C17H23N3O3 — CID 113094214

IUPACN-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide
SMILESCC(=O)N(c1ccc(NC(=O)NC2CC2)cc1)C1CCOCC1
InChIInChI=1S/C17H23N3O3/c1-12(21)20(16-8-10-23-11-9-16)15-6-4-14(5-7-15)19-17(22)18-13-2-3-13/h4-7,13,16H,2-3,8-11H2,1H3,(H2,18,19,22)
InChIKeyABLDDKSZWHTBEN-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.50
Rot. Bonds4

About N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide

N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide (PubChem CID 113094214) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide
PubChem CID113094214
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide
SMILESCC(=O)N(c1ccc(NC(=O)NC2CC2)cc1)C1CCOCC1
InChIInChI=1S/C17H23N3O3/c1-12(21)20(16-8-10-23-11-9-16)15-6-4-14(5-7-15)19-17(22)18-13-2-3-13/h4-7,13,16H,2-3,8-11H2,1H3,(H2,18,19,22)
InChIKeyABLDDKSZWHTBEN-UHFFFAOYSA-N
XLogP2.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 113094206
N-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide
CID 113094156
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide
CID 113094170
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-chlorobenzamide
CID 113094193
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methoxybenzamide
CID 113094176
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide
CID 113094199
N-cyclopropyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 113094101
N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide
CID 113095234
N-[4-[oxan-4-yl(propan-2-ylcarbamoyl)amino]phenyl]acetamide
CID 113095241
N-[4-(benzenesulfonamido)phenyl]-N-(oxan-4-yl)acetamide
CID 113094220
N-[4-[acetyl(cyclopropyl)amino]phenyl]cyclopropanecarboxamide
CID 113094031
N-[4-[acetyl(cyclopropyl)amino]phenyl]-2,2-dimethylpropanamide
CID 113094036

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide?
The IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide (CID 113094214) is N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide is CC(=O)N(c1ccc(NC(=O)NC2CC2)cc1)C1CCOCC1.
What is the InChIKey of N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide?
The InChIKey is ABLDDKSZWHTBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(21)20(16-8-10-23-11-9-16)15-6-4-14(5-7-15)19-17(22)18-13-2-3-13/h4-7,13,16H,2-3,8-11H2,1H3,(H2,18,19,22).
What are the key properties of N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide?
N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 113094214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).