N-benzyl-N'-(2-cyclopropyl-2-hydroxypropyl)oxamide

C15H20N2O3 — CID 90499424

IUPACN-benzyl-N'-(2-cyclopropyl-2-hydroxypropyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)NCc1ccccc1)C1CC1
InChIInChI=1S/C15H20N2O3/c1-15(20,12-7-8-12)10-17-14(19)13(18)16-9-11-5-3-2-4-6-11/h2-6,12,20H,7-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyBUUBGQMIALOMTL-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.58
Rot. Bonds5

About N-benzyl-N'-(2-cyclopropyl-2-hydroxypropyl)oxamide

N-benzyl-N'-(2-cyclopropyl-2-hydroxypropyl)oxamide (PubChem CID 90499424) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-benzyl-N'-(2-cyclopropyl-2-hydroxypropyl)oxamide.

Molecular Properties

Compound NameN-benzyl-N'-(2-cyclopropyl-2-hydroxypropyl)oxamide
PubChem CID90499424
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-benzyl-N'-(2-cyclopropyl-2-hydroxypropyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)NCc1ccccc1)C1CC1
InChIInChI=1S/C15H20N2O3/c1-15(20,12-7-8-12)10-17-14(19)13(18)16-9-11-5-3-2-4-6-11/h2-6,12,20H,7-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyBUUBGQMIALOMTL-UHFFFAOYSA-N
XLogP0.58
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.58
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'-(2-cyclopropyl-2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 90499449
N-(2-cyclopropyl-2-hydroxypropyl)-N'-(2-methylsulfanylphenyl)oxamide
CID 56764387
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 94909095
N'-(2-cyanophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide
CID 52992789
(2S)-1-(benzylamino)-2-cyclohexylpropan-2-ol
CID 129368100
N-(2-cyclopropyl-2-hydroxypropyl)furan-2-carboxamide
CID 52992722
N'-(3-acetamidophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)oxamide
CID 90499460
1-(1,2-benzoxazol-3-ylmethyl)-3-(2-cyclopropyl-2-hydroxypropyl)urea
CID 138004737
3-(benzenesulfonyl)-N-[(2R)-2-cyclopropyl-2-hydroxypropyl]propanamide
CID 94909077
benzyl N-[2-[[(2S)-2-cyclohexyl-2-hydroxypropyl]amino]-2-oxoethyl]carbamate
CID 124845856
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52907101
1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(2-phenoxyethyl)urea
CID 95986154

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(2-cyclopropyl-2-hydroxypropyl)oxamide?
The IUPAC name of N-benzyl-N'-(2-cyclopropyl-2-hydroxypropyl)oxamide (CID 90499424) is N-benzyl-N'-(2-cyclopropyl-2-hydroxypropyl)oxamide.
What is the SMILES notation for N-benzyl-N'-(2-cyclopropyl-2-hydroxypropyl)oxamide?
The canonical SMILES for N-benzyl-N'-(2-cyclopropyl-2-hydroxypropyl)oxamide is CC(O)(CNC(=O)C(=O)NCc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-N'-(2-cyclopropyl-2-hydroxypropyl)oxamide?
The InChIKey is BUUBGQMIALOMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(20,12-7-8-12)10-17-14(19)13(18)16-9-11-5-3-2-4-6-11/h2-6,12,20H,7-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-benzyl-N'-(2-cyclopropyl-2-hydroxypropyl)oxamide?
N-benzyl-N'-(2-cyclopropyl-2-hydroxypropyl)oxamide has a molecular weight of 276.34 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(2-cyclopropyl-2-hydroxypropyl)oxamide is sourced from PubChem (CID 90499424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).