N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide

C17H24N2O2 — CID 106910580

IUPACN-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide
SMILESO=C(CC1CCCCO1)Nc1ccc(CNC2CC2)cc1
InChIInChI=1S/C17H24N2O2/c20-17(11-16-3-1-2-10-21-16)19-15-6-4-13(5-7-15)12-18-14-8-9-14/h4-7,14,16,18H,1-3,8-12H2,(H,19,20)
InChIKeyIIXLPOBWFYIANQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.84
Rot. Bonds6

About N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide

N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide (PubChem CID 106910580) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide
PubChem CID106910580
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide
SMILESO=C(CC1CCCCO1)Nc1ccc(CNC2CC2)cc1
InChIInChI=1S/C17H24N2O2/c20-17(11-16-3-1-2-10-21-16)19-15-6-4-13(5-7-15)12-18-14-8-9-14/h4-7,14,16,18H,1-3,8-12H2,(H,19,20)
InChIKeyIIXLPOBWFYIANQ-UHFFFAOYSA-N
XLogP2.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
2-(oxan-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110423473
2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110425035
2-methyl-2-[4-[[2-(oxan-2-yl)acetyl]amino]phenyl]propanoic acid
CID 120688056
2-fluoro-4-[[2-(oxan-2-yl)acetyl]amino]benzoic acid
CID 107792703
N-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-(oxan-2-yl)acetamide
CID 110632886
N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696648
N-(1,3-benzodioxol-5-yl)-2-(oxan-2-yl)acetamide
CID 110426347
N-(6-bromo-3-pyridinyl)-2-(oxan-2-yl)acetamide
CID 110614780
3-[[4-[[2-(oxan-2-yl)acetyl]amino]benzoyl]amino]propanoic acid
CID 120687029
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide
CID 106910531
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110621036

Frequently Asked Questions

What is the IUPAC name of N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide?
The IUPAC name of N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide (CID 106910580) is N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide.
What is the SMILES notation for N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide?
The canonical SMILES for N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide is O=C(CC1CCCCO1)Nc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide?
The InChIKey is IIXLPOBWFYIANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(11-16-3-1-2-10-21-16)19-15-6-4-13(5-7-15)12-18-14-8-9-14/h4-7,14,16,18H,1-3,8-12H2,(H,19,20).
What are the key properties of N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide?
N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide has a molecular weight of 288.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(cyclopropylamino)methyl]phenyl]-2-(oxan-2-yl)acetamide is sourced from PubChem (CID 106910580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).