(3R)-3-[2,2-dimethylpropyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide

C19H30N2O2 — CID 10519622

IUPAC(3R)-3-[2,2-dimethylpropyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCCN(CC(C)(C)C)[C@H]1COc2cccc(C(=O)NC)c2C1
InChIInChI=1S/C19H30N2O2/c1-6-10-21(13-19(2,3)4)14-11-16-15(18(22)20-5)8-7-9-17(16)23-12-14/h7-9,14H,6,10-13H2,1-5H3,(H,20,22)/t14-/m1/s1
InChIKeyWHSCTXIVIOBXRM-CQSZACIVSA-N
MW318.46 g/mol
LogP3.11
Rot. Bonds5

About (3R)-3-[2,2-dimethylpropyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide

(3R)-3-[2,2-dimethylpropyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 10519622) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is (3R)-3-[2,2-dimethylpropyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name(3R)-3-[2,2-dimethylpropyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID10519622
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name(3R)-3-[2,2-dimethylpropyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCCN(CC(C)(C)C)[C@H]1COc2cccc(C(=O)NC)c2C1
InChIInChI=1S/C19H30N2O2/c1-6-10-21(13-19(2,3)4)14-11-16-15(18(22)20-5)8-7-9-17(16)23-12-14/h7-9,14H,6,10-13H2,1-5H3,(H,20,22)/t14-/m1/s1
InChIKeyWHSCTXIVIOBXRM-CQSZACIVSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(3S)-3-[4-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butyl-propylamino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide
CID 10504531

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2,2-dimethylpropyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of (3R)-3-[2,2-dimethylpropyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide (CID 10519622) is (3R)-3-[2,2-dimethylpropyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for (3R)-3-[2,2-dimethylpropyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for (3R)-3-[2,2-dimethylpropyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide is CCCN(CC(C)(C)C)[C@H]1COc2cccc(C(=O)NC)c2C1.
What is the InChIKey of (3R)-3-[2,2-dimethylpropyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is WHSCTXIVIOBXRM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-6-10-21(13-19(2,3)4)14-11-16-15(18(22)20-5)8-7-9-17(16)23-12-14/h7-9,14H,6,10-13H2,1-5H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (3R)-3-[2,2-dimethylpropyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide?
(3R)-3-[2,2-dimethylpropyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2,2-dimethylpropyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 10519622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).