N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-4-propan-2-yloxybenzamide

C20H24N2O3 — CID 54780630

IUPACN-[4-[3-(methylamino)-3-oxopropyl]phenyl]-4-propan-2-yloxybenzamide
SMILESCNC(=O)CCc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-14(2)25-18-11-7-16(8-12-18)20(24)22-17-9-4-15(5-10-17)6-13-19(23)21-3/h4-5,7-12,14H,6,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyOLDIZPPNIRBHBL-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.40
Rot. Bonds7

About N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-4-propan-2-yloxybenzamide

N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-4-propan-2-yloxybenzamide (PubChem CID 54780630) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[4-[3-(methylamino)-3-oxopropyl]phenyl]-4-propan-2-yloxybenzamide
PubChem CID54780630
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[4-[3-(methylamino)-3-oxopropyl]phenyl]-4-propan-2-yloxybenzamide
SMILESCNC(=O)CCc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O3/c1-14(2)25-18-11-7-16(8-12-18)20(24)22-17-9-4-15(5-10-17)6-13-19(23)21-3/h4-5,7-12,14H,6,13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyOLDIZPPNIRBHBL-UHFFFAOYSA-N
XLogP3.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780731
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
4-(methylamino)-N-(4-propan-2-yloxyphenyl)benzamide
CID 62166478
4-methoxy-N-[4-[3-(2-methylpropylamino)-3-oxopropyl]phenyl]benzamide
CID 17359995
N-propan-2-yl-3-(4-propan-2-yloxyphenyl)propanamide
CID 170371171
4-amino-N-(4-propan-2-yloxyphenyl)benzamide
CID 28722589
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 173014561
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109048416
N-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 61057989
3-chloro-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780710

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-4-propan-2-yloxybenzamide (CID 54780630) is N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-4-propan-2-yloxybenzamide is CNC(=O)CCc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-4-propan-2-yloxybenzamide?
The InChIKey is OLDIZPPNIRBHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14(2)25-18-11-7-16(8-12-18)20(24)22-17-9-4-15(5-10-17)6-13-19(23)21-3/h4-5,7-12,14H,6,13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-4-propan-2-yloxybenzamide?
N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-4-propan-2-yloxybenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(methylamino)-3-oxopropyl]phenyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 54780630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).