butyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate

C15H21NO3 — CID 62365383

IUPACbutyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate
SMILESCCCCOC(=O)CNC1CCOc2ccccc21
InChIInChI=1S/C15H21NO3/c1-2-3-9-19-15(17)11-16-13-8-10-18-14-7-5-4-6-12(13)14/h4-7,13,16H,2-3,8-11H2,1H3
InChIKeyGJEGMEFZRSSRJS-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.44
Rot. Bonds6

About butyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate

butyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate (PubChem CID 62365383) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is butyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate.

Molecular Properties

Compound Namebutyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate
PubChem CID62365383
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namebutyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate
SMILESCCCCOC(=O)CNC1CCOc2ccccc21
InChIInChI=1S/C15H21NO3/c1-2-3-9-19-15(17)11-16-13-8-10-18-14-7-5-4-6-12(13)14/h4-7,13,16H,2-3,8-11H2,1H3
InChIKeyGJEGMEFZRSSRJS-UHFFFAOYSA-N
XLogP2.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 60680631
4-butoxy-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46655099
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-pentan-2-ylacetamide
CID 60693874
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide
CID 60693734
methyl (Z)-4-(3,4-dihydro-2H-chromen-4-ylamino)-2-ethylbut-2-enoate
CID 103250054
(4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 7287154
ethyl 2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoacetate
CID 62365066
3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide
CID 62364889
butyl 2,3-dihydro-1-benzofuran-3-carboxylate
CID 78960804
2-[2-(4-butoxyphenyl)ethyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 111598438
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide
CID 106171125

Frequently Asked Questions

What is the IUPAC name of butyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate?
The IUPAC name of butyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate (CID 62365383) is butyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate.
What is the SMILES notation for butyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate?
The canonical SMILES for butyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate is CCCCOC(=O)CNC1CCOc2ccccc21.
What is the InChIKey of butyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate?
The InChIKey is GJEGMEFZRSSRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-3-9-19-15(17)11-16-13-8-10-18-14-7-5-4-6-12(13)14/h4-7,13,16H,2-3,8-11H2,1H3.
What are the key properties of butyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate?
butyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate has a molecular weight of 263.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(3,4-dihydro-2H-chromen-4-ylamino)acetate is sourced from PubChem (CID 62365383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).