N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

C21H26N2O2 — CID 134041165

IUPACN-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)C1COc2ccccc2C1
InChIInChI=1S/C21H26N2O2/c1-22(2)12-13-23(15-17-8-4-3-5-9-17)21(24)19-14-18-10-6-7-11-20(18)25-16-19/h3-11,19H,12-16H2,1-2H3
InChIKeyLSEWJYQQZXSVMT-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.83
Rot. Bonds6

About N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 134041165) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID134041165
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)C1COc2ccccc2C1
InChIInChI=1S/C21H26N2O2/c1-22(2)12-13-23(15-17-8-4-3-5-9-17)21(24)19-14-18-10-6-7-11-20(18)25-16-19/h3-11,19H,12-16H2,1-2H3
InChIKeyLSEWJYQQZXSVMT-UHFFFAOYSA-N
XLogP2.83
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282
N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 78811308
(3R)-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97115858
N-(2-aminoethyl)-N-(2-phenylethyl)-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 120886137
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24515244
(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 58715019
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
(3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97279816
2-[2-(dimethylamino)ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetic acid
CID 125153337
2-[tert-butyl(3,4-dihydro-2H-chromene-3-carbonyl)amino]acetic acid
CID 79265135
N-[(2-fluorophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 134040901
(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 81126278

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 134041165) is N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is CN(C)CCN(Cc1ccccc1)C(=O)C1COc2ccccc2C1.
What is the InChIKey of N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is LSEWJYQQZXSVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-22(2)12-13-23(15-17-8-4-3-5-9-17)21(24)19-14-18-10-6-7-11-20(18)25-16-19/h3-11,19H,12-16H2,1-2H3.
What are the key properties of N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 134041165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).