N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-propoxybenzamide

C21H26N2O3 — CID 46760461

IUPACN-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(CCC(=O)N(C)C)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-4-14-26-19-7-5-6-17(15-19)21(25)22-18-11-8-16(9-12-18)10-13-20(24)23(2)3/h5-9,11-12,15H,4,10,13-14H2,1-3H3,(H,22,25)
InChIKeyBCNRLJPWAZACEN-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.75
Rot. Bonds8

About N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-propoxybenzamide

N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-propoxybenzamide (PubChem CID 46760461) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-propoxybenzamide
PubChem CID46760461
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(CCC(=O)N(C)C)cc2)c1
InChIInChI=1S/C21H26N2O3/c1-4-14-26-19-7-5-6-17(15-19)21(25)22-18-11-8-16(9-12-18)10-13-20(24)23(2)3/h5-9,11-12,15H,4,10,13-14H2,1-3H3,(H,22,25)
InChIKeyBCNRLJPWAZACEN-UHFFFAOYSA-N
XLogP3.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561
N-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 46760745
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
N-(4-anilinophenyl)-3-propoxybenzamide
CID 4960017
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
methyl 4-[(3-propoxybenzoyl)amino]benzoate
CID 2293242
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 46760783
N-[4-(butanoylamino)phenyl]-3-(2-phenylethoxy)benzamide
CID 17202577
N-[[4-[3-(dimethylamino)-3-oxopropyl]phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 46760781
N-[[4-[3-(methylamino)-3-oxopropyl]phenyl]carbamothioyl]-3-propoxybenzamide
CID 54781023
N-[4-(propan-2-ylcarbamoyl)phenyl]-3-propoxybenzamide
CID 26157621

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-propoxybenzamide?
The IUPAC name of N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-propoxybenzamide (CID 46760461) is N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-propoxybenzamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-propoxybenzamide?
The canonical SMILES for N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2ccc(CCC(=O)N(C)C)cc2)c1.
What is the InChIKey of N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-propoxybenzamide?
The InChIKey is BCNRLJPWAZACEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-14-26-19-7-5-6-17(15-19)21(25)22-18-11-8-16(9-12-18)10-13-20(24)23(2)3/h5-9,11-12,15H,4,10,13-14H2,1-3H3,(H,22,25).
What are the key properties of N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-propoxybenzamide?
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-propoxybenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-3-propoxybenzamide is sourced from PubChem (CID 46760461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).