(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide

C16H24N2O2 — CID 10084845

IUPAC(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCCN(C(C)C)[C@H]1COc2cccc(C(N)=O)c2C1
InChIInChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)/t12-/m1/s1
InChIKeyHSIWCIOUGIRMGE-GFCCVEGCSA-N
MW276.38 g/mol
LogP2.21
Rot. Bonds5

About (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide

(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 10084845) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID10084845
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCCN(C(C)C)[C@H]1COc2cccc(C(N)=O)c2C1
InChIInChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)/t12-/m1/s1
InChIKeyHSIWCIOUGIRMGE-GFCCVEGCSA-N
XLogP2.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide (CID 10084845) is (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide is CCCN(C(C)C)[C@H]1COc2cccc(C(N)=O)c2C1.
What is the InChIKey of (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is HSIWCIOUGIRMGE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-8-18(11(2)3)12-9-14-13(16(17)19)6-5-7-15(14)20-10-12/h5-7,11-12H,4,8-10H2,1-3H3,(H2,17,19)/t12-/m1/s1.
What are the key properties of (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide?
(3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[propan-2-yl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 10084845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).