N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-(1,2-oxazol-5-yl)cyclobutane-1-carboxamide

C19H24N2O4 — CID 167778784

IUPACN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-(1,2-oxazol-5-yl)cyclobutane-1-carboxamide
SMILESCOc1ccc(CC(C)NC(=O)C2(c3ccno3)CCC2)cc1OC
InChIInChI=1S/C19H24N2O4/c1-13(11-14-5-6-15(23-2)16(12-14)24-3)21-18(22)19(8-4-9-19)17-7-10-20-25-17/h5-7,10,12-13H,4,8-9,11H2,1-3H3,(H,21,22)
InChIKeyRMZWBXSEVPLQGX-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.86
Rot. Bonds7

About N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-(1,2-oxazol-5-yl)cyclobutane-1-carboxamide

N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-(1,2-oxazol-5-yl)cyclobutane-1-carboxamide (PubChem CID 167778784) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-(1,2-oxazol-5-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-(1,2-oxazol-5-yl)cyclobutane-1-carboxamide
PubChem CID167778784
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-(1,2-oxazol-5-yl)cyclobutane-1-carboxamide
SMILESCOc1ccc(CC(C)NC(=O)C2(c3ccno3)CCC2)cc1OC
InChIInChI=1S/C19H24N2O4/c1-13(11-14-5-6-15(23-2)16(12-14)24-3)21-18(22)19(8-4-9-19)17-7-10-20-25-17/h5-7,10,12-13H,4,8-9,11H2,1-3H3,(H,21,22)
InChIKeyRMZWBXSEVPLQGX-UHFFFAOYSA-N
XLogP2.86
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 119319826
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 139749507
2-(cyclopropylmethylamino)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide;hydrochloride
CID 119777153
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 119319806
4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 11276143
(3R)-4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 130440860
2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide
CID 43545329
4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide
CID 120591848
4-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)oxane-4-carboxamide
CID 42648874
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 119777156
1-[(3,4-dimethoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 79424763
3-[(3,4-dimethoxyphenyl)methyl]pentane-2,4-dione
CID 137479905

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-(1,2-oxazol-5-yl)cyclobutane-1-carboxamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-(1,2-oxazol-5-yl)cyclobutane-1-carboxamide (CID 167778784) is N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-(1,2-oxazol-5-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-(1,2-oxazol-5-yl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-(1,2-oxazol-5-yl)cyclobutane-1-carboxamide is COc1ccc(CC(C)NC(=O)C2(c3ccno3)CCC2)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-(1,2-oxazol-5-yl)cyclobutane-1-carboxamide?
The InChIKey is RMZWBXSEVPLQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13(11-14-5-6-15(23-2)16(12-14)24-3)21-18(22)19(8-4-9-19)17-7-10-20-25-17/h5-7,10,12-13H,4,8-9,11H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-(1,2-oxazol-5-yl)cyclobutane-1-carboxamide?
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-(1,2-oxazol-5-yl)cyclobutane-1-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-(1,2-oxazol-5-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 167778784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).