3,5-dimethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide

C21H26N2O4 — CID 4572465

IUPAC3,5-dimethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)NC(C)CCc2ccccc2)c1
InChIInChI=1S/C21H26N2O4/c1-15(9-10-16-7-5-4-6-8-16)23-20(24)14-22-21(25)17-11-18(26-2)13-19(12-17)27-3/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyBUTJTBBLZVVRCF-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.57
Rot. Bonds9

About 3,5-dimethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide

3,5-dimethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide (PubChem CID 4572465) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
PubChem CID4572465
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3,5-dimethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)NC(C)CCc2ccccc2)c1
InChIInChI=1S/C21H26N2O4/c1-15(9-10-16-7-5-4-6-8-16)23-20(24)14-22-21(25)17-11-18(26-2)13-19(12-17)27-3/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyBUTJTBBLZVVRCF-UHFFFAOYSA-N
XLogP2.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Troxipide
CID 5597
N-(1-benzylpiperidin-4-yl)-3,5-dimethoxybenzamide
CID 14514271
4-(3,5-Dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 2420253
3-Methoxy-N-piperidin-4-yl-benzamide
CID 1445157
3-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2914414
3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2915995
Tricetamide
CID 67763
N-Benzyl-3,4,5-trimethoxybenzamide
CID 736962
N-benzhydryl-3,5-dimethoxybenzamide
CID 873122
3-(difluoromethoxy)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 2105607
3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 2462542
2,4-dimethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2902442

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide (CID 4572465) is 3,5-dimethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide is COc1cc(OC)cc(C(=O)NCC(=O)NC(C)CCc2ccccc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide?
The InChIKey is BUTJTBBLZVVRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15(9-10-16-7-5-4-6-8-16)23-20(24)14-22-21(25)17-11-18(26-2)13-19(12-17)27-3/h4-8,11-13,15H,9-10,14H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 3,5-dimethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide?
3,5-dimethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 4572465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).