N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide

C24H30N2O3 — CID 11654079

IUPACN-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide
SMILESCN(C)C1(C(NC(=O)c2ccc3c(c2)OC(C)(C)O3)c2ccccc2)CCCC1
InChIInChI=1S/C24H30N2O3/c1-23(2)28-19-13-12-18(16-20(19)29-23)22(27)25-21(17-10-6-5-7-11-17)24(26(3)4)14-8-9-15-24/h5-7,10-13,16,21H,8-9,14-15H2,1-4H3,(H,25,27)
InChIKeyDKTFBRXPIDFUOW-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.54
Rot. Bonds5

About N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide

N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide (PubChem CID 11654079) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide
PubChem CID11654079
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide
SMILESCN(C)C1(C(NC(=O)c2ccc3c(c2)OC(C)(C)O3)c2ccccc2)CCCC1
InChIInChI=1S/C24H30N2O3/c1-23(2)28-19-13-12-18(16-20(19)29-23)22(27)25-21(17-10-6-5-7-11-17)24(26(3)4)14-8-9-15-24/h5-7,10-13,16,21H,8-9,14-15H2,1-4H3,(H,25,27)
InChIKeyDKTFBRXPIDFUOW-UHFFFAOYSA-N
XLogP4.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide
CID 11537937
2,3,6-trichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]benzamide
CID 59347870
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 23728869
3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide
CID 11539036
2,4-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-6-methoxybenzamide
CID 59347931
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide
CID 11516293
N-[[1-[iodomethyl(methyl)amino]cyclopentyl]-phenylmethyl]-2,6-dimethylbenzamide
CID 89169823
N-[[1-(dimethylamino)cyclohexyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 11576123
N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7534852
4-benzoyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)benzamide
CID 1327317
N-[[1-(dimethylamino)cyclopentyl]-(4-fluorophenyl)methyl]-2,6-dimethylbenzamide
CID 11646365
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-8-methyl-2-(trifluoromethyl)quinoline-4-carboxamide
CID 11683926

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide (CID 11654079) is N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide is CN(C)C1(C(NC(=O)c2ccc3c(c2)OC(C)(C)O3)c2ccccc2)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is DKTFBRXPIDFUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-23(2)28-19-13-12-18(16-20(19)29-23)22(27)25-21(17-10-6-5-7-11-17)24(26(3)4)14-8-9-15-24/h5-7,10-13,16,21H,8-9,14-15H2,1-4H3,(H,25,27).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide?
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 11654079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).