N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

C20H26N2O4 — CID 33080733

IUPACN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCOc1ccc(OC)c(CN(C(=O)CCc2c(C)noc2C)C2CC2)c1
InChIInChI=1S/C20H26N2O4/c1-13-18(14(2)26-21-13)8-10-20(23)22(16-5-6-16)12-15-11-17(24-3)7-9-19(15)25-4/h7,9,11,16H,5-6,8,10,12H2,1-4H3
InChIKeySAIQEHNDRWCQEL-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.43
Rot. Bonds8

About N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (PubChem CID 33080733) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
PubChem CID33080733
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCOc1ccc(OC)c(CN(C(=O)CCc2c(C)noc2C)C2CC2)c1
InChIInChI=1S/C20H26N2O4/c1-13-18(14(2)26-21-13)8-10-20(23)22(16-5-6-16)12-15-11-17(24-3)7-9-19(15)25-4/h7,9,11,16H,5-6,8,10,12H2,1-4H3
InChIKeySAIQEHNDRWCQEL-UHFFFAOYSA-N
XLogP3.43
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide
CID 120560197
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33081665
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119286973
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 33079090
N-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 134004505
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(4-sulfamoylphenyl)propanamide
CID 46545952
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide
CID 52574681
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55830000
N-cyclopropyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 86907274
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 55588365
4-(1,3-benzothiazol-2-yl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]butanamide
CID 33078927
1-(2,5-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]methanamine
CID 112724642

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (CID 33080733) is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is COc1ccc(OC)c(CN(C(=O)CCc2c(C)noc2C)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is SAIQEHNDRWCQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-13-18(14(2)26-21-13)8-10-20(23)22(16-5-6-16)12-15-11-17(24-3)7-9-19(15)25-4/h7,9,11,16H,5-6,8,10,12H2,1-4H3.
What are the key properties of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 358.44 g/mol, XLogP of 3.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 33080733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).