N-[2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide

C19H20N2O4 — CID 94466660

IUPACN-[2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N[C@@H]2COc3ccccc3C2)cc1
InChIInChI=1S/C19H20N2O4/c1-24-16-8-6-13(7-9-16)19(23)20-11-18(22)21-15-10-14-4-2-3-5-17(14)25-12-15/h2-9,15H,10-12H2,1H3,(H,20,23)(H,21,22)/t15-/m0/s1
InChIKeyKHMOMXIUBQLQOI-HNNXBMFYSA-N
MW340.38 g/mol
LogP1.54
Rot. Bonds5

About N-[2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide

N-[2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide (PubChem CID 94466660) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide
PubChem CID94466660
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N[C@@H]2COc3ccccc3C2)cc1
InChIInChI=1S/C19H20N2O4/c1-24-16-8-6-13(7-9-16)19(23)20-11-18(22)21-15-10-14-4-2-3-5-17(14)25-12-15/h2-9,15H,10-12H2,1H3,(H,20,23)(H,21,22)/t15-/m0/s1
InChIKeyKHMOMXIUBQLQOI-HNNXBMFYSA-N
XLogP1.54
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3,4-dihydro-2H-chromen-3-ylamino)-4-oxobutanoate
CID 110751478
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2-(methanesulfonamido)acetamide
CID 129368199
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid
CID 97233703
N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide
CID 110751024
4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide
CID 110751510
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
CID 94466633
N-(3,4-dihydro-2H-chromen-3-yl)-4-(methylamino)butanamide;hydrochloride
CID 119734025
4-methoxy-N-[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl]benzamide
CID 33295122
N-(3,4-dihydro-2H-chromen-3-yl)-2-(2-methylphenoxy)acetamide
CID 110751539
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 94466647

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide (CID 94466660) is N-[2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCC(=O)N[C@@H]2COc3ccccc3C2)cc1.
What is the InChIKey of N-[2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide?
The InChIKey is KHMOMXIUBQLQOI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-24-16-8-6-13(7-9-16)19(23)20-11-18(22)21-15-10-14-4-2-3-5-17(14)25-12-15/h2-9,15H,10-12H2,1H3,(H,20,23)(H,21,22)/t15-/m0/s1.
What are the key properties of N-[2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide?
N-[2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide has a molecular weight of 340.38 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]-2-oxoethyl]-4-methoxybenzamide is sourced from PubChem (CID 94466660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).