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

C18H26N2O2 — CID 10709505

IUPAC(3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCCN(C1CCCC1)[C@H]1COc2cccc(C(N)=O)c2C1
InChIInChI=1S/C18H26N2O2/c1-2-10-20(13-6-3-4-7-13)14-11-16-15(18(19)21)8-5-9-17(16)22-12-14/h5,8-9,13-14H,2-4,6-7,10-12H2,1H3,(H2,19,21)/t14-/m1/s1
InChIKeyRPTJAEIJXWMLAQ-CQSZACIVSA-N
MW302.42 g/mol
LogP2.74
Rot. Bonds5

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

(3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide (PubChem CID 10709505) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide.

Molecular Properties

Compound Name(3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide
PubChem CID10709505
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide
SMILESCCCN(C1CCCC1)[C@H]1COc2cccc(C(N)=O)c2C1
InChIInChI=1S/C18H26N2O2/c1-2-10-20(13-6-3-4-7-13)14-11-16-15(18(19)21)8-5-9-17(16)22-12-14/h5,8-9,13-14H,2-4,6-7,10-12H2,1H3,(H2,19,21)/t14-/m1/s1
InChIKeyRPTJAEIJXWMLAQ-CQSZACIVSA-N
XLogP2.74
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.74
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]-3,4-dihydro-2H-chromene-5-carboxamide?
The IUPAC name of (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide (CID 10709505) is (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide.
What is the SMILES notation for (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide?
The canonical SMILES for (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide is CCCN(C1CCCC1)[C@H]1COc2cccc(C(N)=O)c2C1.
What is the InChIKey of (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide?
The InChIKey is RPTJAEIJXWMLAQ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-10-20(13-6-3-4-7-13)14-11-16-15(18(19)21)8-5-9-17(16)22-12-14/h5,8-9,13-14H,2-4,6-7,10-12H2,1H3,(H2,19,21)/t14-/m1/s1.
What are the key properties of (3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide?
(3R)-3-[cyclopentyl(propyl)amino]-3,4-dihydro-2H-chromene-5-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.74, 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]-3,4-dihydro-2H-chromene-5-carboxamide is sourced from PubChem (CID 10709505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).