N-[3-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethoxy]phenyl]acetamide

C20H24N4O3 — CID 111600290

IUPACN-[3-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC/N=C(\N)NC2CCOc3ccccc32)c1
InChIInChI=1S/C20H24N4O3/c1-14(25)23-15-5-4-6-16(13-15)26-12-10-22-20(21)24-18-9-11-27-19-8-3-2-7-17(18)19/h2-8,13,18H,9-12H2,1H3,(H,23,25)(H3,21,22,24)
InChIKeyMALKGRAEZPPOSN-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.45
Rot. Bonds6

About N-[3-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethoxy]phenyl]acetamide

N-[3-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethoxy]phenyl]acetamide (PubChem CID 111600290) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[3-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethoxy]phenyl]acetamide
PubChem CID111600290
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[3-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC/N=C(\N)NC2CCOc3ccccc32)c1
InChIInChI=1S/C20H24N4O3/c1-14(25)23-15-5-4-6-16(13-15)26-12-10-22-20(21)24-18-9-11-27-19-8-3-2-7-17(18)19/h2-8,13,18H,9-12H2,1H3,(H,23,25)(H3,21,22,24)
InChIKeyMALKGRAEZPPOSN-UHFFFAOYSA-N
XLogP2.45
TPSA97.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111599164
1-(3,4-dihydro-2H-chromen-4-yl)-2-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]guanidine;hydroiodide
CID 111598363
N-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethyl]-3-methoxybenzamide
CID 111598174
2-[2-(4-butoxyphenyl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 111598438
N-(3,4-dihydro-2H-chromen-4-yl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 86826322
1-(3,4-dihydro-2H-chromen-4-yl)-2-propylguanidine;hydroiodide
CID 75418867
3-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethyl]benzamide
CID 119141008
3-[3-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-3-oxopropoxy]benzamide
CID 95974632
N-[3-[2-[[amino-(3-methylanilino)methylidene]amino]ethoxy]phenyl]acetamide
CID 111101623
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 17397287
1-(3,4-dihydro-2H-chromen-4-yl)-2-pentylguanidine
CID 111597420
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111597543

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethoxy]phenyl]acetamide?
The IUPAC name of N-[3-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethoxy]phenyl]acetamide (CID 111600290) is N-[3-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethoxy]phenyl]acetamide is CC(=O)Nc1cccc(OCC/N=C(\N)NC2CCOc3ccccc32)c1.
What is the InChIKey of N-[3-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethoxy]phenyl]acetamide?
The InChIKey is MALKGRAEZPPOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14(25)23-15-5-4-6-16(13-15)26-12-10-22-20(21)24-18-9-11-27-19-8-3-2-7-17(18)19/h2-8,13,18H,9-12H2,1H3,(H,23,25)(H3,21,22,24).
What are the key properties of N-[3-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethoxy]phenyl]acetamide?
N-[3-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethoxy]phenyl]acetamide has a molecular weight of 368.44 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[amino-(3,4-dihydro-2H-chromen-4-ylamino)methylidene]amino]ethoxy]phenyl]acetamide is sourced from PubChem (CID 111600290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).