2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide

C15H22N2O3 — CID 72923552

IUPAC2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide
SMILESCOc1ccc2c(c1)OCC(CNC(=O)C(C)(C)N)C2
InChIInChI=1S/C15H22N2O3/c1-15(2,16)14(18)17-8-10-6-11-4-5-12(19-3)7-13(11)20-9-10/h4-5,7,10H,6,8-9,16H2,1-3H3,(H,17,18)
InChIKeyKYQJHDHKUNNORW-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.10
Rot. Bonds4

About 2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide

2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide (PubChem CID 72923552) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide
PubChem CID72923552
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide
SMILESCOc1ccc2c(c1)OCC(CNC(=O)C(C)(C)N)C2
InChIInChI=1S/C15H22N2O3/c1-15(2,16)14(18)17-8-10-6-11-4-5-12(19-3)7-13(11)20-9-10/h4-5,7,10H,6,8-9,16H2,1-3H3,(H,17,18)
InChIKeyKYQJHDHKUNNORW-UHFFFAOYSA-N
XLogP1.10
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-trifluoro-N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]propanamide
CID 97147039
4,4,4-trifluoro-N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]butanamide
CID 97153393
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]thiophene-3-carboxamide
CID 72888189
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide
CID 97142134
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N',N'-dimethylbutanediamide
CID 97279612
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275918
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275919
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 72907497
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 97122083
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridin-4-ylpropanamide
CID 97275705
2-(5-acetylthiophen-3-yl)-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]acetamide
CID 72879978
2,3-difluoro-6-methoxy-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
CID 72923027

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide (CID 72923552) is 2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide is COc1ccc2c(c1)OCC(CNC(=O)C(C)(C)N)C2.
What is the InChIKey of 2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide?
The InChIKey is KYQJHDHKUNNORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,16)14(18)17-8-10-6-11-4-5-12(19-3)7-13(11)20-9-10/h4-5,7,10H,6,8-9,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide?
2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide has a molecular weight of 278.35 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 72923552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).