N-(cyclopropylmethyl)-2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide

C18H21N3O4 — CID 814632

IUPACN-(cyclopropylmethyl)-2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1C(=O)N(CC(=O)Nc1cc(C)on1)CC1CC1
InChIInChI=1S/C18H21N3O4/c1-12-9-16(20-25-12)19-17(22)11-21(10-13-7-8-13)18(23)14-5-3-4-6-15(14)24-2/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,19,20,22)
InChIKeyMGALZLWRLJLYQJ-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.48
Rot. Bonds7

About N-(cyclopropylmethyl)-2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide

N-(cyclopropylmethyl)-2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide (PubChem CID 814632) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
PubChem CID814632
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-(cyclopropylmethyl)-2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1C(=O)N(CC(=O)Nc1cc(C)on1)CC1CC1
InChIInChI=1S/C18H21N3O4/c1-12-9-16(20-25-12)19-17(22)11-21(10-13-7-8-13)18(23)14-5-3-4-6-15(14)24-2/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,19,20,22)
InChIKeyMGALZLWRLJLYQJ-UHFFFAOYSA-N
XLogP2.48
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(3-methoxypropyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4147660
2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42770338
2,4-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 3681112
2-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-phenylacetamide
CID 4596926
N-(cyclohexylmethyl)-3,5-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 4123267
N-(cyclohexylmethyl)-4-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770363
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclobutanecarboxamide
CID 814628
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 814627
N-(3-methoxypropyl)-2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 3524677
2-[cyclohexylmethyl-(2-methoxyacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42770388
4-chloro-N-(cyclohexylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770365
N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]nonanamide
CID 4169989

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide (CID 814632) is N-(cyclopropylmethyl)-2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide is COc1ccccc1C(=O)N(CC(=O)Nc1cc(C)on1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is MGALZLWRLJLYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-12-9-16(20-25-12)19-17(22)11-21(10-13-7-8-13)18(23)14-5-3-4-6-15(14)24-2/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,19,20,22).
What are the key properties of N-(cyclopropylmethyl)-2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide?
N-(cyclopropylmethyl)-2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 343.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 814632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).