2-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylpentanamide

C15H21ClN2O2 — CID 119746258

IUPAC2-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC1CCOc2c(Cl)cccc21
InChIInChI=1S/C15H21ClN2O2/c1-3-9(2)13(17)15(19)18-12-7-8-20-14-10(12)5-4-6-11(14)16/h4-6,9,12-13H,3,7-8,17H2,1-2H3,(H,18,19)
InChIKeyWNUOJOOEJMZHKS-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.65
Rot. Bonds4

About 2-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylpentanamide

2-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylpentanamide (PubChem CID 119746258) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylpentanamide
PubChem CID119746258
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC1CCOc2c(Cl)cccc21
InChIInChI=1S/C15H21ClN2O2/c1-3-9(2)13(17)15(19)18-12-7-8-20-14-10(12)5-4-6-11(14)16/h4-6,9,12-13H,3,7-8,17H2,1-2H3,(H,18,19)
InChIKeyWNUOJOOEJMZHKS-UHFFFAOYSA-N
XLogP2.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-(methylamino)propanamide
CID 119746250
(2S)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(cyclopropylmethoxy)propanamide
CID 94809553
(2S)-2-but-3-enoxy-N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]propanamide
CID 95275872
3-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropanamide;hydrochloride
CID 119950489
N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-2-(ethylsulfonylamino)acetamide
CID 124588113
trans-(1R,2R)-2-[[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119661
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-2-hydroxybenzamide
CID 60572033
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylazetidine-3-carboxamide
CID 128874525
2-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylpentanamide
CID 119727121
N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124614344
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 119042913
(3R)-N-[(4R)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 94660912

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylpentanamide?
The IUPAC name of 2-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylpentanamide (CID 119746258) is 2-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylpentanamide?
The canonical SMILES for 2-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylpentanamide is CCC(C)C(N)C(=O)NC1CCOc2c(Cl)cccc21.
What is the InChIKey of 2-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylpentanamide?
The InChIKey is WNUOJOOEJMZHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-3-9(2)13(17)15(19)18-12-7-8-20-14-10(12)5-4-6-11(14)16/h4-6,9,12-13H,3,7-8,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylpentanamide?
2-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylpentanamide has a molecular weight of 296.80 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-methylpentanamide is sourced from PubChem (CID 119746258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).