N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3,4-dihydro-2H-chromene-4-carboxamide

C17H26N2O2 — CID 79663387

IUPACN-(3-amino-2,2-dimethylpropyl)-N-ethyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCCN(CC(C)(C)CN)C(=O)C1CCOc2ccccc21
InChIInChI=1S/C17H26N2O2/c1-4-19(12-17(2,3)11-18)16(20)14-9-10-21-15-8-6-5-7-13(14)15/h5-8,14H,4,9-12,18H2,1-3H3
InChIKeyVKHHUQKGDHZQNX-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.39
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3,4-dihydro-2H-chromene-4-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 79663387) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID79663387
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-ethyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCCN(CC(C)(C)CN)C(=O)C1CCOc2ccccc21
InChIInChI=1S/C17H26N2O2/c1-4-19(12-17(2,3)11-18)16(20)14-9-10-21-15-8-6-5-7-13(14)15/h5-8,14H,4,9-12,18H2,1-3H3
InChIKeyVKHHUQKGDHZQNX-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid
CID 63709185
N-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 79663424
N-ethyl-N-(3-hydroxypropyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 115772095
N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 107493571
N-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 63709229
1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
CID 63709569
N-(3-aminopropyl)-N-(2-methylpropyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708282
N-(cyanomethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 63184213
methyl 2-[3,4-dihydro-2H-chromene-4-carbonyl(propyl)amino]acetate
CID 63237160
1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethylpentan-1-one
CID 65409112
2-[3,4-dihydro-2H-chromene-4-carbonyl(2-methylpropyl)amino]acetic acid
CID 63708820
N-(3-amino-2,2-dimethylpropyl)-N-propyl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79663417

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3,4-dihydro-2H-chromene-4-carboxamide (CID 79663387) is N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3,4-dihydro-2H-chromene-4-carboxamide is CCN(CC(C)(C)CN)C(=O)C1CCOc2ccccc21.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is VKHHUQKGDHZQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-19(12-17(2,3)11-18)16(20)14-9-10-21-15-8-6-5-7-13(14)15/h5-8,14H,4,9-12,18H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3,4-dihydro-2H-chromene-4-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 79663387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).