N-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide

C13H18N2O3 — CID 120651877

IUPACN-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H18N2O3/c1-3-14-9(2)7-15-13(16)10-4-5-11-12(6-10)18-8-17-11/h4-6,9,14H,3,7-8H2,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeySRYURWIRGWOYDK-SECBINFHSA-N
MW250.30 g/mol
LogP1.14
Rot. Bonds5

About N-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide

N-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 120651877) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide
PubChem CID120651877
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C13H18N2O3/c1-3-14-9(2)7-15-13(16)10-4-5-11-12(6-10)18-8-17-11/h4-6,9,14H,3,7-8H2,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeySRYURWIRGWOYDK-SECBINFHSA-N
XLogP1.14
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 120651895
N-(2-hydroxy-4-methylpentyl)-1,3-benzodioxole-5-carboxamide
CID 103771408
2-[(1,3-benzodioxole-5-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220302
2-[(1,3-benzodioxole-5-carbonylamino)methyl]butanoic acid
CID 65217974
3-[(1,3-benzodioxole-5-carbonylamino)methyl]pentanoic acid
CID 81064781
N-[(2R)-2-(ethylamino)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 120655100
N-(2-ethylhexyl)-1,3-benzodioxole-5-carboxamide
CID 2915932
N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 18145771
(2S)-1-(1,3-benzodioxol-5-yl)-2-(ethylamino)-3-methylbutan-1-one
CID 95459831
1-(1,3-benzodioxol-5-yl)-2-(ethylamino)butan-1-one;hydrochloride
CID 112500420
N-(2-bromo-3-methoxypropyl)-1,3-benzodioxole-5-carboxamide
CID 114309908
N-(2-bromo-4,4-dimethylpentyl)-1,3-benzodioxole-5-carboxamide
CID 107156512

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide (CID 120651877) is N-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide is CCN[C@H](C)CNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is SRYURWIRGWOYDK-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-14-9(2)7-15-13(16)10-4-5-11-12(6-10)18-8-17-11/h4-6,9,14H,3,7-8H2,1-2H3,(H,15,16)/t9-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide?
N-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 120651877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).