N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide

C17H26N2O2 — CID 81485803

IUPACN-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)C1CCOc2ccccc21
InChIInChI=1S/C17H26N2O2/c1-12(2)15(18)8-10-19(3)17(20)14-9-11-21-16-7-5-4-6-13(14)16/h4-7,12,14-15H,8-11,18H2,1-3H3
InChIKeyWIFXXLWBUSXETB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.38
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide

N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 81485803) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID81485803
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)C1CCOc2ccccc21
InChIInChI=1S/C17H26N2O2/c1-12(2)15(18)8-10-19(3)17(20)14-9-11-21-16-7-5-4-6-13(14)16/h4-7,12,14-15H,8-11,18H2,1-3H3
InChIKeyWIFXXLWBUSXETB-UHFFFAOYSA-N
XLogP2.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 124556443
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 81487197
N-(3-aminopropyl)-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708282
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride
CID 119995087
N-(1-cyanopropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 63297027
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one
CID 55227243
N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 83030362
2-[3,4-dihydro-2H-chromene-4-carbonyl(2-methylpropyl)amino]acetic acid
CID 63708820
N-(3-amino-4-methylpentyl)-N-methyl-2-naphthalen-1-ylcyclopropane-1-carboxamide;hydrochloride
CID 119661456
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 79246427
1-(3,4-dihydro-2H-chromen-4-yl)-3-methylhexan-1-one
CID 65409121
2-[1-(3,4-dihydro-2H-chromene-4-carbonyl)azetidin-3-yl]propanoic acid
CID 116680981

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide (CID 81485803) is N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide is CC(C)C(N)CCN(C)C(=O)C1CCOc2ccccc21.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is WIFXXLWBUSXETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)15(18)8-10-19(3)17(20)14-9-11-21-16-7-5-4-6-13(14)16/h4-7,12,14-15H,8-11,18H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide?
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 81485803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).