3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide

C13H18N2O2 — CID 82496307

IUPAC3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
SMILESNCCC(=O)NCc1ccc2c(c1)CCCO2
InChIInChI=1S/C13H18N2O2/c14-6-5-13(16)15-9-10-3-4-12-11(8-10)2-1-7-17-12/h3-4,8H,1-2,5-7,9,14H2,(H,15,16)
InChIKeyCZRDSXFONGMPFD-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.98
Rot. Bonds4

About 3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide

3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide (PubChem CID 82496307) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
PubChem CID82496307
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide
SMILESNCCC(=O)NCc1ccc2c(c1)CCCO2
InChIInChI=1S/C13H18N2O2/c14-6-5-13(16)15-9-10-3-4-12-11(8-10)2-1-7-17-12/h3-4,8H,1-2,5-7,9,14H2,(H,15,16)
InChIKeyCZRDSXFONGMPFD-UHFFFAOYSA-N
XLogP0.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)propanamide;hydrochloride
CID 119307654
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(2-methoxyphenyl)propanamide
CID 110784245
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 91831785
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pentanamide
CID 110787032
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide
CID 110790414
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide
CID 115167217
N-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclobutanecarboxamide
CID 110784247
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide
CID 110784257
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 110784239
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-[methyl-(1-methylpyrrolidin-3-yl)amino]propanamide
CID 91839671
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 115245808

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide?
The IUPAC name of 3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide (CID 82496307) is 3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide?
The canonical SMILES for 3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide is NCCC(=O)NCc1ccc2c(c1)CCCO2.
What is the InChIKey of 3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide?
The InChIKey is CZRDSXFONGMPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-6-5-13(16)15-9-10-3-4-12-11(8-10)2-1-7-17-12/h3-4,8H,1-2,5-7,9,14H2,(H,15,16).
What are the key properties of 3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide?
3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide has a molecular weight of 234.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dihydro-2H-chromen-6-ylmethyl)propanamide is sourced from PubChem (CID 82496307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).