N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3-methoxybenzamide

C19H19NO4 — CID 42723772

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CC2)c1
InChIInChI=1S/C19H19NO4/c1-22-16-4-2-3-14(10-16)19(21)20(15-6-7-15)11-13-5-8-17-18(9-13)24-12-23-17/h2-5,8-10,15H,6-7,11-12H2,1H3
InChIKeyDARNORQFRQKQBK-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.23
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3-methoxybenzamide

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3-methoxybenzamide (PubChem CID 42723772) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3-methoxybenzamide
PubChem CID42723772
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CC2)c1
InChIInChI=1S/C19H19NO4/c1-22-16-4-2-3-14(10-16)19(21)20(15-6-7-15)11-13-5-8-17-18(9-13)24-12-23-17/h2-5,8-10,15H,6-7,11-12H2,1H3
InChIKeyDARNORQFRQKQBK-UHFFFAOYSA-N
XLogP3.23
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide
CID 1058331
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-5-(methoxymethyl)thiophene-2-carboxamide
CID 77089381
N-(1,3-benzodioxol-5-ylmethyl)-4-butyl-N-cyclopropylbenzamide
CID 42723771
N-[(3R)-1,1-dioxothiolan-3-yl]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 40643442
4-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylbenzamide
CID 119317902
N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide
CID 63394478
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-2,2-dimethylpropanamide
CID 42724635
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-cyclopropylbenzamide
CID 42724637
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methoxybenzamide
CID 7123350
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-phenylbenzamide
CID 18281010
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentylpyridine-4-carboxamide
CID 8894049
N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-methoxybenzamide
CID 110348411

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3-methoxybenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3-methoxybenzamide (CID 42723772) is N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3-methoxybenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3-methoxybenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3-methoxybenzamide is COc1cccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CC2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3-methoxybenzamide?
The InChIKey is DARNORQFRQKQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-22-16-4-2-3-14(10-16)19(21)20(15-6-7-15)11-13-5-8-17-18(9-13)24-12-23-17/h2-5,8-10,15H,6-7,11-12H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3-methoxybenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3-methoxybenzamide has a molecular weight of 325.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopropyl-3-methoxybenzamide is sourced from PubChem (CID 42723772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).