3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxopropoxy]benzamide

C19H20N2O4 — CID 95974632

IUPAC3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxopropoxy]benzamide
SMILESNC(=O)c1cccc(OCCC(=O)N[C@H]2CCOc3ccccc32)c1
InChIInChI=1S/C19H20N2O4/c20-19(23)13-4-3-5-14(12-13)24-11-9-18(22)21-16-8-10-25-17-7-2-1-6-15(16)17/h1-7,12,16H,8-11H2,(H2,20,23)(H,21,22)/t16-/m0/s1
InChIKeyRPVWRAIHBOVACP-INIZCTEOSA-N
MW340.38 g/mol
LogP2.19
Rot. Bonds6

About 3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxopropoxy]benzamide

3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxopropoxy]benzamide (PubChem CID 95974632) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxopropoxy]benzamide.

Molecular Properties

Compound Name3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxopropoxy]benzamide
PubChem CID95974632
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxopropoxy]benzamide
SMILESNC(=O)c1cccc(OCCC(=O)N[C@H]2CCOc3ccccc32)c1
InChIInChI=1S/C19H20N2O4/c20-19(23)13-4-3-5-14(12-13)24-11-9-18(22)21-16-8-10-25-17-7-2-1-6-15(16)17/h1-7,12,16H,8-11H2,(H2,20,23)(H,21,22)/t16-/m0/s1
InChIKeyRPVWRAIHBOVACP-INIZCTEOSA-N
XLogP2.19
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 17448836
N-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 86826322
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
3-[3-oxo-3-(pyrrolidin-3-ylamino)propoxy]benzamide
CID 119454270
N-[3-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethoxy]phenyl]acetamide
CID 111600290
N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide
CID 110750844
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-phenoxybutanamide
CID 108764801
3-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethyl]benzamide
CID 119141008
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 17397287
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46828800

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxopropoxy]benzamide?
The IUPAC name of 3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxopropoxy]benzamide (CID 95974632) is 3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxopropoxy]benzamide.
What is the SMILES notation for 3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxopropoxy]benzamide?
The canonical SMILES for 3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxopropoxy]benzamide is NC(=O)c1cccc(OCCC(=O)N[C@H]2CCOc3ccccc32)c1.
What is the InChIKey of 3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxopropoxy]benzamide?
The InChIKey is RPVWRAIHBOVACP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N2O4/c20-19(23)13-4-3-5-14(12-13)24-11-9-18(22)21-16-8-10-25-17-7-2-1-6-15(16)17/h1-7,12,16H,8-11H2,(H2,20,23)(H,21,22)/t16-/m0/s1.
What are the key properties of 3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxopropoxy]benzamide?
3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxopropoxy]benzamide has a molecular weight of 340.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxopropoxy]benzamide is sourced from PubChem (CID 95974632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).