5-(aminomethyl)-N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]furan-3-carboxamide

C16H18N2O3 — CID 129399359

IUPAC5-(aminomethyl)-N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]furan-3-carboxamide
SMILESNCc1cc(C(=O)NC[C@@H]2CCOc3ccccc32)co1
InChIInChI=1S/C16H18N2O3/c17-8-13-7-12(10-21-13)16(19)18-9-11-5-6-20-15-4-2-1-3-14(11)15/h1-4,7,10-11H,5-6,8-9,17H2,(H,18,19)/t11-/m0/s1
InChIKeyABPHYHHAYYIEGL-NSHDSACASA-N
MW286.33 g/mol
LogP2.03
Rot. Bonds4

About 5-(aminomethyl)-N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]furan-3-carboxamide

5-(aminomethyl)-N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]furan-3-carboxamide (PubChem CID 129399359) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]furan-3-carboxamide
PubChem CID129399359
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name5-(aminomethyl)-N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]furan-3-carboxamide
SMILESNCc1cc(C(=O)NC[C@@H]2CCOc3ccccc32)co1
InChIInChI=1S/C16H18N2O3/c17-8-13-7-12(10-21-13)16(19)18-9-11-5-6-20-15-4-2-1-3-14(11)15/h1-4,7,10-11H,5-6,8-9,17H2,(H,18,19)/t11-/m0/s1
InChIKeyABPHYHHAYYIEGL-NSHDSACASA-N
XLogP2.03
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluorobenzamide
CID 110709244
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
CID 110709241
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide
CID 119126287
5-[[(4S)-3,4-dihydro-2H-chromen-4-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 124606063
4-amino-5-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-methoxybenzamide
CID 119762210
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide
CID 104768242
1-benzyl-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea
CID 110746942
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 110709252
4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide
CID 120590979

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]furan-3-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]furan-3-carboxamide (CID 129399359) is 5-(aminomethyl)-N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]furan-3-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]furan-3-carboxamide is NCc1cc(C(=O)NC[C@@H]2CCOc3ccccc32)co1.
What is the InChIKey of 5-(aminomethyl)-N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]furan-3-carboxamide?
The InChIKey is ABPHYHHAYYIEGL-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O3/c17-8-13-7-12(10-21-13)16(19)18-9-11-5-6-20-15-4-2-1-3-14(11)15/h1-4,7,10-11H,5-6,8-9,17H2,(H,18,19)/t11-/m0/s1.
What are the key properties of 5-(aminomethyl)-N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]furan-3-carboxamide?
5-(aminomethyl)-N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]furan-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[[(4R)-3,4-dihydro-2H-chromen-4-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 129399359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).