2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide

C15H22N2O3 — CID 60693734

IUPAC2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNC1CCOc2ccccc21
InChIInChI=1S/C15H22N2O3/c1-19-9-4-8-16-15(18)11-17-13-7-10-20-14-6-3-2-5-12(13)14/h2-3,5-6,13,17H,4,7-11H2,1H3,(H,16,18)
InChIKeyCDYJHSIFXMGQNJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.25
Rot. Bonds7

About 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide

2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide (PubChem CID 60693734) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide
PubChem CID60693734
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CNC1CCOc2ccccc21
InChIInChI=1S/C15H22N2O3/c1-19-9-4-8-16-15(18)11-17-13-7-10-20-14-6-3-2-5-12(13)14/h2-3,5-6,13,17H,4,7-11H2,1H3,(H,16,18)
InChIKeyCDYJHSIFXMGQNJ-UHFFFAOYSA-N
XLogP1.25
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 7287154
1-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxypropyl)thiourea
CID 115571169
butyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate
CID 62365383
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide
CID 60693874
methyl (Z)-4-(3,4-dihydro-2H-chromen-4-ylamino)-2-ethylbut-2-enoate
CID 103250054
2-[(6,8-dichloro-3,4-dihydro-2H-chromen-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115708014
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methoxybutan-1-amine
CID 115756534
methyl 4-[[(4S)-3,4-dihydro-2H-chromen-4-yl]carbamothioylamino]butanoate
CID 9095280
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111840180
N-[3-(cyclopropylmethoxy)propyl]-3,4-dihydro-2H-chromen-4-amine
CID 43206794
2-(3,4-dihydro-2H-chromen-4-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 110680431
2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide
CID 113259968

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide (CID 60693734) is 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CNC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide?
The InChIKey is CDYJHSIFXMGQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-9-4-8-16-15(18)11-17-13-7-10-20-14-6-3-2-5-12(13)14/h2-3,5-6,13,17H,4,7-11H2,1H3,(H,16,18).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide?
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 60693734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).