N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide

C24H28N2O3 — CID 24550294

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
SMILESCc1ccc2c(C)c(CCC(=O)NCc3ccccc3CN(C)C)c(=O)oc2c1
InChIInChI=1S/C24H28N2O3/c1-16-9-10-20-17(2)21(24(28)29-22(20)13-16)11-12-23(27)25-14-18-7-5-6-8-19(18)15-26(3)4/h5-10,13H,11-12,14-15H2,1-4H3,(H,25,27)
InChIKeyDDDFJOFLGZORJP-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.72
Rot. Bonds7

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide (PubChem CID 24550294) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
PubChem CID24550294
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
SMILESCc1ccc2c(C)c(CCC(=O)NCc3ccccc3CN(C)C)c(=O)oc2c1
InChIInChI=1S/C24H28N2O3/c1-16-9-10-20-17(2)21(24(28)29-22(20)13-16)11-12-23(27)25-14-18-7-5-6-8-19(18)15-26(3)4/h5-10,13H,11-12,14-15H2,1-4H3,(H,25,27)
InChIKeyDDDFJOFLGZORJP-UHFFFAOYSA-N
XLogP3.72
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 18145814
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]propanamide
CID 32605712
N-(1H-benzimidazol-2-ylmethyl)-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
CID 18105229
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
CID 24532850
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide
CID 24532348
N-(2-bromophenyl)-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
CID 17498930
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 24524842
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 24549586
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide
CID 30480392
N-[3-(dimethylamino)propyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 4965116
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 24621480
2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]acetic acid
CID 5417130

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide (CID 24550294) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide is Cc1ccc2c(C)c(CCC(=O)NCc3ccccc3CN(C)C)c(=O)oc2c1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide?
The InChIKey is DDDFJOFLGZORJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16-9-10-20-17(2)21(24(28)29-22(20)13-16)11-12-23(27)25-14-18-7-5-6-8-19(18)15-26(3)4/h5-10,13H,11-12,14-15H2,1-4H3,(H,25,27).
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide has a molecular weight of 392.50 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide is sourced from PubChem (CID 24550294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).