N-[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]-2,3-dihydro-1-benzofuran-6-carboxamide

C18H26N2O3 — CID 141276868

IUPACN-[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]-2,3-dihydro-1-benzofuran-6-carboxamide
SMILESCN[C@H](CNC(=O)c1ccc2c(c1)OCC2)C[C@H]1CCCOC1
InChIInChI=1S/C18H26N2O3/c1-19-16(9-13-3-2-7-22-12-13)11-20-18(21)15-5-4-14-6-8-23-17(14)10-15/h4-5,10,13,16,19H,2-3,6-9,11-12H2,1H3,(H,20,21)/t13-,16+/m1/s1
InChIKeyCRMWLDJBLXCNPV-CJNGLKHVSA-N
MW318.42 g/mol
LogP1.76
Rot. Bonds6

About N-[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]-2,3-dihydro-1-benzofuran-6-carboxamide

N-[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]-2,3-dihydro-1-benzofuran-6-carboxamide (PubChem CID 141276868) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]-2,3-dihydro-1-benzofuran-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]-2,3-dihydro-1-benzofuran-6-carboxamide
PubChem CID141276868
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]-2,3-dihydro-1-benzofuran-6-carboxamide
SMILESCN[C@H](CNC(=O)c1ccc2c(c1)OCC2)C[C@H]1CCCOC1
InChIInChI=1S/C18H26N2O3/c1-19-16(9-13-3-2-7-22-12-13)11-20-18(21)15-5-4-14-6-8-23-17(14)10-15/h4-5,10,13,16,19H,2-3,6-9,11-12H2,1H3,(H,20,21)/t13-,16+/m1/s1
InChIKeyCRMWLDJBLXCNPV-CJNGLKHVSA-N
XLogP1.76
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3R)-oxan-3-yl]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 125434835
methyl N-[2-[[2-methyl-5-[[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]carbamoyl]phenyl]-(3-methylphenyl)methoxy]ethyl]carbamate
CID 143914772
methyl N-[2-[(S)-(3-chlorophenyl)-[2-methyl-5-[[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]carbamoyl]phenyl]methoxy]ethyl]carbamate
CID 59378394
N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103512682
2-[(S)-(3-chloro-5-fluorophenyl)-[3-[[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]carbamoyl]phenyl]methoxy]ethylcarbamic acid
CID 68724871
methyl N-[2-[(R)-(3-chloro-5-fluorophenyl)-[3-[[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]carbamoyl]phenyl]methoxy]ethyl]carbamate
CID 59378390
methyl N-[2-[(3-chloro-5-fluorophenyl)-[3-[[(2R)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]carbamoyl]phenyl]methoxy]ethyl]carbamate
CID 68604495
3-methyl-N-(2-methylpropyl)-4-(oxan-3-ylmethylamino)benzamide
CID 132970891
N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 111426308
3-bromo-4-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79466570
4-[ethyl(methyl)amino]-N-(oxan-3-ylmethyl)benzamide
CID 47447689
methyl N-[2-[(S)-(3-chlorophenyl)-[3-(difluoromethoxy)-5-[[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]carbamoyl]phenyl]methoxy]ethyl]carbamate
CID 56833109

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]-2,3-dihydro-1-benzofuran-6-carboxamide?
The IUPAC name of N-[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]-2,3-dihydro-1-benzofuran-6-carboxamide (CID 141276868) is N-[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]-2,3-dihydro-1-benzofuran-6-carboxamide.
What is the SMILES notation for N-[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]-2,3-dihydro-1-benzofuran-6-carboxamide?
The canonical SMILES for N-[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]-2,3-dihydro-1-benzofuran-6-carboxamide is CN[C@H](CNC(=O)c1ccc2c(c1)OCC2)C[C@H]1CCCOC1.
What is the InChIKey of N-[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]-2,3-dihydro-1-benzofuran-6-carboxamide?
The InChIKey is CRMWLDJBLXCNPV-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-19-16(9-13-3-2-7-22-12-13)11-20-18(21)15-5-4-14-6-8-23-17(14)10-15/h4-5,10,13,16,19H,2-3,6-9,11-12H2,1H3,(H,20,21)/t13-,16+/m1/s1.
What are the key properties of N-[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]-2,3-dihydro-1-benzofuran-6-carboxamide?
N-[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]-2,3-dihydro-1-benzofuran-6-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]-2,3-dihydro-1-benzofuran-6-carboxamide is sourced from PubChem (CID 141276868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).