N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide

C24H24N2O3 — CID 84568594

IUPACN-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
SMILESO=C(CCN(Cc1cccc2ccccc12)C1CC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C24H24N2O3/c27-24(25-19-8-11-22-23(14-19)29-16-28-22)12-13-26(20-9-10-20)15-18-6-3-5-17-4-1-2-7-21(17)18/h1-8,11,14,20H,9-10,12-13,15-16H2,(H,25,27)
InChIKeyBRSCYRMDQFYELK-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.56
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide

N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide (PubChem CID 84568594) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
PubChem CID84568594
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
SMILESO=C(CCN(Cc1cccc2ccccc12)C1CC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C24H24N2O3/c27-24(25-19-8-11-22-23(14-19)29-16-28-22)12-13-26(20-9-10-20)15-18-6-3-5-17-4-1-2-7-21(17)18/h1-8,11,14,20H,9-10,12-13,15-16H2,(H,25,27)
InChIKeyBRSCYRMDQFYELK-UHFFFAOYSA-N
XLogP4.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanoylamino]-2-hydroxybenzoic acid
CID 84568655
N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 47220201
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 84569102
N-(4-chloro-2-methylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84568214
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 84568226
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 84565012
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84568221
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 84565003
N-(1,3-benzodioxol-5-yl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9457994
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 84564973
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(3-ethoxy-2-pyridinyl)propanamide
CID 84565019
N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide
CID 1154201

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide (CID 84568594) is N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide is O=C(CCN(Cc1cccc2ccccc12)C1CC1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide?
The InChIKey is BRSCYRMDQFYELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-24(25-19-8-11-22-23(14-19)29-16-28-22)12-13-26(20-9-10-20)15-18-6-3-5-17-4-1-2-7-21(17)18/h1-8,11,14,20H,9-10,12-13,15-16H2,(H,25,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide?
N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide has a molecular weight of 388.47 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide is sourced from PubChem (CID 84568594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).