N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3-ethylphenyl)oxamide

C16H22N2O3 — CID 111798819

IUPACN'-(1-cyclopropyl-3-hydroxypropyl)-N-(3-ethylphenyl)oxamide
SMILESCCc1cccc(NC(=O)C(=O)NC(CCO)C2CC2)c1
InChIInChI=1S/C16H22N2O3/c1-2-11-4-3-5-13(10-11)17-15(20)16(21)18-14(8-9-19)12-6-7-12/h3-5,10,12,14,19H,2,6-9H2,1H3,(H,17,20)(H,18,21)
InChIKeyWTEGOJXNFLMUSL-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.46
Rot. Bonds6

About N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3-ethylphenyl)oxamide

N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3-ethylphenyl)oxamide (PubChem CID 111798819) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3-ethylphenyl)oxamide.

Molecular Properties

Compound NameN'-(1-cyclopropyl-3-hydroxypropyl)-N-(3-ethylphenyl)oxamide
PubChem CID111798819
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN'-(1-cyclopropyl-3-hydroxypropyl)-N-(3-ethylphenyl)oxamide
SMILESCCc1cccc(NC(=O)C(=O)NC(CCO)C2CC2)c1
InChIInChI=1S/C16H22N2O3/c1-2-11-4-3-5-13(10-11)17-15(20)16(21)18-14(8-9-19)12-6-7-12/h3-5,10,12,14,19H,2,6-9H2,1H3,(H,17,20)(H,18,21)
InChIKeyWTEGOJXNFLMUSL-UHFFFAOYSA-N
XLogP1.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.46
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

N-(3-chlorophenyl)-N'-(1-cyclopropyl-3-hydroxypropyl)oxamide
CID 111798802
N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3,5-dimethylphenyl)oxamide
CID 111798788
N-(3-ethylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 47224753
2-acetamido-2-cyclopentyl-N-(3-ethylphenyl)acetamide
CID 51272125
2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783163
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
1-(3-ethylphenyl)-3-piperidin-4-ylurea
CID 91143160
N-(1-cyclopropylethyl)-3-ethylaniline
CID 43196050
1-(1-cyclohexyl-3-hydroxypropyl)-3-phenylurea
CID 111383992
N-(3-ethylphenyl)-2-methylsulfanylbenzamide
CID 2591348

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3-ethylphenyl)oxamide?
The IUPAC name of N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3-ethylphenyl)oxamide (CID 111798819) is N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3-ethylphenyl)oxamide.
What is the SMILES notation for N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3-ethylphenyl)oxamide?
The canonical SMILES for N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3-ethylphenyl)oxamide is CCc1cccc(NC(=O)C(=O)NC(CCO)C2CC2)c1.
What is the InChIKey of N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3-ethylphenyl)oxamide?
The InChIKey is WTEGOJXNFLMUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-11-4-3-5-13(10-11)17-15(20)16(21)18-14(8-9-19)12-6-7-12/h3-5,10,12,14,19H,2,6-9H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3-ethylphenyl)oxamide?
N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3-ethylphenyl)oxamide has a molecular weight of 290.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclopropyl-3-hydroxypropyl)-N-(3-ethylphenyl)oxamide is sourced from PubChem (CID 111798819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).