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

C19H28N2O2 — CID 10757809

IUPAC(3R)-3-[cyclopentyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCCN(C1CCCC1)[C@H]1COc2cccc(C(=O)NC)c2C1
InChIInChI=1S/C19H28N2O2/c1-3-11-21(14-7-4-5-8-14)15-12-17-16(19(22)20-2)9-6-10-18(17)23-13-15/h6,9-10,14-15H,3-5,7-8,11-13H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyRBIWHXJAJFWHKW-OAHLLOKOSA-N
MW316.44 g/mol
LogP3.00
Rot. Bonds5

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

(3R)-3-[cyclopentyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 10757809) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (3R)-3-[cyclopentyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name(3R)-3-[cyclopentyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID10757809
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(3R)-3-[cyclopentyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCCN(C1CCCC1)[C@H]1COc2cccc(C(=O)NC)c2C1
InChIInChI=1S/C19H28N2O2/c1-3-11-21(14-7-4-5-8-14)15-12-17-16(19(22)20-2)9-6-10-18(17)23-13-15/h6,9-10,14-15H,3-5,7-8,11-13H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyRBIWHXJAJFWHKW-OAHLLOKOSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[cyclopentyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of (3R)-3-[cyclopentyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide (CID 10757809) is (3R)-3-[cyclopentyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for (3R)-3-[cyclopentyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for (3R)-3-[cyclopentyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide is CCCN(C1CCCC1)[C@H]1COc2cccc(C(=O)NC)c2C1.
What is the InChIKey of (3R)-3-[cyclopentyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is RBIWHXJAJFWHKW-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-11-21(14-7-4-5-8-14)15-12-17-16(19(22)20-2)9-6-10-18(17)23-13-15/h6,9-10,14-15H,3-5,7-8,11-13H2,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (3R)-3-[cyclopentyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide?
(3R)-3-[cyclopentyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[cyclopentyl(propyl)amino]-N-methyl-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 10757809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).