N-[3-[[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]amino]phenyl]propanamide

C20H22N2O3 — CID 95771072

IUPACN-[3-[[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)C[C@@H]2CCOc3ccccc32)c1
InChIInChI=1S/C20H22N2O3/c1-2-19(23)21-15-6-5-7-16(13-15)22-20(24)12-14-10-11-25-18-9-4-3-8-17(14)18/h3-9,13-14H,2,10-12H2,1H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyHMUSIHZMKVPGPP-AWEZNQCLSA-N
MW338.41 g/mol
LogP3.93
Rot. Bonds5

About N-[3-[[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]amino]phenyl]propanamide

N-[3-[[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]amino]phenyl]propanamide (PubChem CID 95771072) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[3-[[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]amino]phenyl]propanamide
PubChem CID95771072
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[3-[[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)C[C@@H]2CCOc3ccccc32)c1
InChIInChI=1S/C20H22N2O3/c1-2-19(23)21-15-6-5-7-16(13-15)22-20(24)12-14-10-11-25-18-9-4-3-8-17(14)18/h3-9,13-14H,2,10-12H2,1H3,(H,21,23)(H,22,24)/t14-/m0/s1
InChIKeyHMUSIHZMKVPGPP-AWEZNQCLSA-N
XLogP3.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 110680418
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
N-(4-acetamidophenyl)-2-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110753843
2-(3,4-dihydro-2H-chromen-4-yl)-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 126786026
N-[3-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 119438483
2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetamide
CID 124607407
2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide
CID 110680415
2-(3,4-dihydro-2H-chromen-4-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 110680431
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 104769879
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
2-(3,4-dihydro-2H-chromen-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 110680468

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]amino]phenyl]propanamide (CID 95771072) is N-[3-[[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)C[C@@H]2CCOc3ccccc32)c1.
What is the InChIKey of N-[3-[[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]amino]phenyl]propanamide?
The InChIKey is HMUSIHZMKVPGPP-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-2-19(23)21-15-6-5-7-16(13-15)22-20(24)12-14-10-11-25-18-9-4-3-8-17(14)18/h3-9,13-14H,2,10-12H2,1H3,(H,21,23)(H,22,24)/t14-/m0/s1.
What are the key properties of N-[3-[[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]amino]phenyl]propanamide?
N-[3-[[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]amino]phenyl]propanamide has a molecular weight of 338.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 95771072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).