N-[(4R)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl]-3-(prop-2-enoylamino)benzamide

C22H24N2O3 — CID 167921571

IUPACN-[(4R)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl]-3-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1cccc(C(=O)N[C@@H]2CCOc3ccc(C(C)C)cc32)c1
InChIInChI=1S/C22H24N2O3/c1-4-21(25)23-17-7-5-6-16(12-17)22(26)24-19-10-11-27-20-9-8-15(14(2)3)13-18(19)20/h4-9,12-14,19H,1,10-11H2,2-3H3,(H,23,25)(H,24,26)/t19-/m1/s1
InChIKeyPIKXQDWLRVDHPI-LJQANCHMSA-N
MW364.45 g/mol
LogP4.19
Rot. Bonds5

About N-[(4R)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl]-3-(prop-2-enoylamino)benzamide

N-[(4R)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl]-3-(prop-2-enoylamino)benzamide (PubChem CID 167921571) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(4R)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl]-3-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-[(4R)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl]-3-(prop-2-enoylamino)benzamide
PubChem CID167921571
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[(4R)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl]-3-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1cccc(C(=O)N[C@@H]2CCOc3ccc(C(C)C)cc32)c1
InChIInChI=1S/C22H24N2O3/c1-4-21(25)23-17-7-5-6-16(12-17)22(26)24-19-10-11-27-20-9-8-15(14(2)3)13-18(19)20/h4-9,12-14,19H,1,10-11H2,2-3H3,(H,23,25)(H,24,26)/t19-/m1/s1
InChIKeyPIKXQDWLRVDHPI-LJQANCHMSA-N
XLogP4.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 82174716
N-[3-(3,4-dihydro-2H-chromen-4-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 47051952
N-[(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]-3-(prop-2-enoylamino)benzamide
CID 166412311
3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 39952245
methyl 4-[(2-ethenylbenzoyl)amino]-3,4-dihydro-2H-chromene-6-carboxylate
CID 123908222
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-methylpropoxy)benzamide
CID 108742175
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35826280
N-[3-[2-[(8-ethyl-3,4-dihydro-2H-chromen-4-yl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421625
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
3-(prop-2-enoylamino)-N-[(1R,2R,3R,4S)-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]benzamide
CID 166416067
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide
CID 162365681

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl]-3-(prop-2-enoylamino)benzamide?
The IUPAC name of N-[(4R)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl]-3-(prop-2-enoylamino)benzamide (CID 167921571) is N-[(4R)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl]-3-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-[(4R)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl]-3-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-[(4R)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl]-3-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1cccc(C(=O)N[C@@H]2CCOc3ccc(C(C)C)cc32)c1.
What is the InChIKey of N-[(4R)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl]-3-(prop-2-enoylamino)benzamide?
The InChIKey is PIKXQDWLRVDHPI-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-21(25)23-17-7-5-6-16(12-17)22(26)24-19-10-11-27-20-9-8-15(14(2)3)13-18(19)20/h4-9,12-14,19H,1,10-11H2,2-3H3,(H,23,25)(H,24,26)/t19-/m1/s1.
What are the key properties of N-[(4R)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl]-3-(prop-2-enoylamino)benzamide?
N-[(4R)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl]-3-(prop-2-enoylamino)benzamide has a molecular weight of 364.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl]-3-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 167921571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).