N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N'-(3-propan-2-ylphenyl)oxamide

C16H22N2O3 — CID 111629836

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-N'-(3-propan-2-ylphenyl)oxamide
SMILESCC(C)c1cccc(NC(=O)C(=O)NCC2(CO)CC2)c1
InChIInChI=1S/C16H22N2O3/c1-11(2)12-4-3-5-13(8-12)18-15(21)14(20)17-9-16(10-19)6-7-16/h3-5,8,11,19H,6-7,9-10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyZFOQSTIOLOITFB-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.64
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N'-(3-propan-2-ylphenyl)oxamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N'-(3-propan-2-ylphenyl)oxamide (PubChem CID 111629836) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N'-(3-propan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-N'-(3-propan-2-ylphenyl)oxamide
PubChem CID111629836
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-N'-(3-propan-2-ylphenyl)oxamide
SMILESCC(C)c1cccc(NC(=O)C(=O)NCC2(CO)CC2)c1
InChIInChI=1S/C16H22N2O3/c1-11(2)12-4-3-5-13(8-12)18-15(21)14(20)17-9-16(10-19)6-7-16/h3-5,8,11,19H,6-7,9-10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyZFOQSTIOLOITFB-UHFFFAOYSA-N
XLogP1.64
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[4-[[2-oxo-2-(3-propan-2-ylanilino)acetyl]amino]phenyl]hex-4-ynoic acid
CID 71621570
1-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61196688
3-oxo-3-(3-propan-2-ylanilino)propanoic acid
CID 62230571
(E)-2-methyl-N-(3-propan-2-ylphenyl)but-2-enamide
CID 142547817
N'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide
CID 60551908
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(3-propan-2-ylphenyl)oxamide
CID 111444404
4-oxo-4-(3-propan-2-ylanilino)butanoic acid
CID 43396404
3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 21491914
3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 61196687
N'-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)oxamide
CID 44996296
2-methyl-2-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 13309478
1-(3-cyanophenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 79451080

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N'-(3-propan-2-ylphenyl)oxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N'-(3-propan-2-ylphenyl)oxamide (CID 111629836) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N'-(3-propan-2-ylphenyl)oxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N'-(3-propan-2-ylphenyl)oxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N'-(3-propan-2-ylphenyl)oxamide is CC(C)c1cccc(NC(=O)C(=O)NCC2(CO)CC2)c1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N'-(3-propan-2-ylphenyl)oxamide?
The InChIKey is ZFOQSTIOLOITFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)12-4-3-5-13(8-12)18-15(21)14(20)17-9-16(10-19)6-7-16/h3-5,8,11,19H,6-7,9-10H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N'-(3-propan-2-ylphenyl)oxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N'-(3-propan-2-ylphenyl)oxamide has a molecular weight of 290.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N'-(3-propan-2-ylphenyl)oxamide is sourced from PubChem (CID 111629836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).