2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-methoxypropanamide

C20H24N2O3 — CID 120988314

IUPAC2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C20H24N2O3/c1-24-13-18(21)20(23)22-12-14-4-6-15(7-5-14)16-8-9-19-17(11-16)3-2-10-25-19/h4-9,11,18H,2-3,10,12-13,21H2,1H3,(H,22,23)
InChIKeyJJIRQJNSRYPQOP-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.27
Rot. Bonds6

About 2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-methoxypropanamide

2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-methoxypropanamide (PubChem CID 120988314) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-methoxypropanamide
PubChem CID120988314
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C20H24N2O3/c1-24-13-18(21)20(23)22-12-14-4-6-15(7-5-14)16-8-9-19-17(11-16)3-2-10-25-19/h4-9,11,18H,2-3,10,12-13,21H2,1H3,(H,22,23)
InChIKeyJJIRQJNSRYPQOP-UHFFFAOYSA-N
XLogP2.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-3-methoxypropanamide
CID 120988039
3-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)urea
CID 86893050
3-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]butanamide
CID 119758146
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide
CID 68649669
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride
CID 68649668
(2S)-2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-(1H-imidazol-5-yl)propanamide;2,2,2-trifluoroacetic acid
CID 167758195
N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119308776
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide
CID 81088298
1-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]methyl]urea
CID 166182728
2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methoxypropanamide;hydrochloride
CID 120985752
(2S)-2-amino-3-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]propanoic acid
CID 172529875
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-methoxypropanamide (CID 120988314) is 2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-methoxypropanamide is COCC(N)C(=O)NCc1ccc(-c2ccc3c(c2)CCCO3)cc1.
What is the InChIKey of 2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-methoxypropanamide?
The InChIKey is JJIRQJNSRYPQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-13-18(21)20(23)22-12-14-4-6-15(7-5-14)16-8-9-19-17(11-16)3-2-10-25-19/h4-9,11,18H,2-3,10,12-13,21H2,1H3,(H,22,23).
What are the key properties of 2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-methoxypropanamide?
2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-methoxypropanamide has a molecular weight of 340.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-methoxypropanamide is sourced from PubChem (CID 120988314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).