N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide

C20H23FN2O3 — CID 40938536

IUPACN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)N[C@@H]2CCOc3ccccc32)cc1F
InChIInChI=1S/C20H23FN2O3/c1-23(12-14-7-8-19(25-2)16(21)11-14)13-20(24)22-17-9-10-26-18-6-4-3-5-15(17)18/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyRLMNYZAZCZNXDS-QGZVFWFLSA-N
MW358.41 g/mol
LogP2.91
Rot. Bonds6

About N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide (PubChem CID 40938536) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
PubChem CID40938536
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)N[C@@H]2CCOc3ccccc32)cc1F
InChIInChI=1S/C20H23FN2O3/c1-23(12-14-7-8-19(25-2)16(21)11-14)13-20(24)22-17-9-10-26-18-6-4-3-5-15(17)18/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyRLMNYZAZCZNXDS-QGZVFWFLSA-N
XLogP2.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-2-[(3-fluoro-4-methoxyphenyl)methyl]guanidine
CID 111599080
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4881709
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2541033
4-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397810
N-(5-chloro-2-fluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432683
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 17455713
3,4-dihydro-2H-chromen-4-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 63708813
2-(5-bromo-2-methoxyanilino)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 86826326
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-fluorophenyl)methyl-prop-2-ynylamino]acetamide
CID 86860847
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 46828754
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine;hydroiodide
CID 111752459
N-cyclopropyl-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 8909798

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide (CID 40938536) is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide is COc1ccc(CN(C)CC(=O)N[C@@H]2CCOc3ccccc32)cc1F.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is RLMNYZAZCZNXDS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-23(12-14-7-8-19(25-2)16(21)11-14)13-20(24)22-17-9-10-26-18-6-4-3-5-15(17)18/h3-8,11,17H,9-10,12-13H2,1-2H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide?
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 358.41 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 40938536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).