N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-phenylpropanamide

C25H30N2O3 — CID 155169563

IUPACN-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-phenylpropanamide
SMILESCCN(CC)c1ccc2c(C)c(CCNC(=O)CCc3ccccc3)c(=O)oc2c1
InChIInChI=1S/C25H30N2O3/c1-4-27(5-2)20-12-13-21-18(3)22(25(29)30-23(21)17-20)15-16-26-24(28)14-11-19-9-7-6-8-10-19/h6-10,12-13,17H,4-5,11,14-16H2,1-3H3,(H,26,28)
InChIKeyTWJXPCQUIXTPIF-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.24
Rot. Bonds9

About N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-phenylpropanamide

N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-phenylpropanamide (PubChem CID 155169563) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-phenylpropanamide
PubChem CID155169563
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC NameN-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-phenylpropanamide
SMILESCCN(CC)c1ccc2c(C)c(CCNC(=O)CCc3ccccc3)c(=O)oc2c1
InChIInChI=1S/C25H30N2O3/c1-4-27(5-2)20-12-13-21-18(3)22(25(29)30-23(21)17-20)15-16-26-24(28)14-11-19-9-7-6-8-10-19/h6-10,12-13,17H,4-5,11,14-16H2,1-3H3,(H,26,28)
InChIKeyTWJXPCQUIXTPIF-UHFFFAOYSA-N
XLogP4.24
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-phenylpropanamide (CID 155169563) is N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-phenylpropanamide is CCN(CC)c1ccc2c(C)c(CCNC(=O)CCc3ccccc3)c(=O)oc2c1.
What is the InChIKey of N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-phenylpropanamide?
The InChIKey is TWJXPCQUIXTPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-4-27(5-2)20-12-13-21-18(3)22(25(29)30-23(21)17-20)15-16-26-24(28)14-11-19-9-7-6-8-10-19/h6-10,12-13,17H,4-5,11,14-16H2,1-3H3,(H,26,28).
What are the key properties of N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-phenylpropanamide?
N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-phenylpropanamide has a molecular weight of 406.53 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 155169563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).