N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N',N'-dimethylbutanediamide

C17H24N2O4 — CID 97279612

IUPACN-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N',N'-dimethylbutanediamide
SMILESCOc1ccc2c(c1)OC[C@H](CNC(=O)CCC(=O)N(C)C)C2
InChIInChI=1S/C17H24N2O4/c1-19(2)17(21)7-6-16(20)18-10-12-8-13-4-5-14(22-3)9-15(13)23-11-12/h4-5,9,12H,6-8,10-11H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyXZFJIXNHSQRIGT-LBPRGKRZSA-N
MW320.39 g/mol
LogP1.23
Rot. Bonds6

About N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N',N'-dimethylbutanediamide

N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N',N'-dimethylbutanediamide (PubChem CID 97279612) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N',N'-dimethylbutanediamide.

Molecular Properties

Compound NameN-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N',N'-dimethylbutanediamide
PubChem CID97279612
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N',N'-dimethylbutanediamide
SMILESCOc1ccc2c(c1)OC[C@H](CNC(=O)CCC(=O)N(C)C)C2
InChIInChI=1S/C17H24N2O4/c1-19(2)17(21)7-6-16(20)18-10-12-8-13-4-5-14(22-3)9-15(13)23-11-12/h4-5,9,12H,6-8,10-11H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyXZFJIXNHSQRIGT-LBPRGKRZSA-N
XLogP1.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-trifluoro-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]butanamide
CID 97153393
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridin-4-ylpropanamide
CID 97275705
3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide
CID 97147039
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 97282710
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-thiophen-2-ylbutanamide
CID 97436579
2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide
CID 72923552
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 97268936
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 72907497
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide
CID 97142134
2-(5-acetylthiophen-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide
CID 72879978
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275919
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275918

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N',N'-dimethylbutanediamide?
The IUPAC name of N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N',N'-dimethylbutanediamide (CID 97279612) is N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N',N'-dimethylbutanediamide.
What is the SMILES notation for N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N',N'-dimethylbutanediamide?
The canonical SMILES for N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N',N'-dimethylbutanediamide is COc1ccc2c(c1)OC[C@H](CNC(=O)CCC(=O)N(C)C)C2.
What is the InChIKey of N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N',N'-dimethylbutanediamide?
The InChIKey is XZFJIXNHSQRIGT-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-19(2)17(21)7-6-16(20)18-10-12-8-13-4-5-14(22-3)9-15(13)23-11-12/h4-5,9,12H,6-8,10-11H2,1-3H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N',N'-dimethylbutanediamide?
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N',N'-dimethylbutanediamide has a molecular weight of 320.39 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N',N'-dimethylbutanediamide is sourced from PubChem (CID 97279612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).