(2R)-N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-propylacetamide

C17H26N2O — CID 97282177

IUPAC(2R)-N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-propylacetamide
SMILESCCCN(C(=O)[C@@H](c1ccccc1C)N(C)C)C1CC1
InChIInChI=1S/C17H26N2O/c1-5-12-19(14-10-11-14)17(20)16(18(3)4)15-9-7-6-8-13(15)2/h6-9,14,16H,5,10-12H2,1-4H3/t16-/m1/s1
InChIKeyTXEJBAPKDCEMKG-MRXNPFEDSA-N
MW274.41 g/mol
LogP3.00
Rot. Bonds6

About (2R)-N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-propylacetamide

(2R)-N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-propylacetamide (PubChem CID 97282177) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-propylacetamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-propylacetamide
PubChem CID97282177
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2R)-N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-propylacetamide
SMILESCCCN(C(=O)[C@@H](c1ccccc1C)N(C)C)C1CC1
InChIInChI=1S/C17H26N2O/c1-5-12-19(14-10-11-14)17(20)16(18(3)4)15-9-7-6-8-13(15)2/h6-9,14,16H,5,10-12H2,1-4H3/t16-/m1/s1
InChIKeyTXEJBAPKDCEMKG-MRXNPFEDSA-N
XLogP3.00
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 72881383
(2S)-N-cyclopentyl-2-(dimethylamino)-2-(4-fluorophenyl)-N-propylacetamide
CID 97205289
(2S)-2-(dimethylamino)-2-(2-methylphenyl)-N-propyl-N-(thiophen-3-ylmethyl)acetamide
CID 97285779
3-[[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-methylamino]-N-methylpropanamide
CID 97278889
N-cyclopropyl-3-phenyl-N-propyl-2-sulfanylpropanamide
CID 107022432
(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 97194638
2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 72873094
N-cyclopropyl-N-propyl-2-sulfanylbenzamide
CID 107022431
2-(dimethylamino)-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 72865250
(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 97193399
ethyl 4-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazine-1-carboxylate
CID 97124771
2-(dimethylamino)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-2-(2-methylphenyl)acetamide
CID 72926988

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-propylacetamide?
The IUPAC name of (2R)-N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-propylacetamide (CID 97282177) is (2R)-N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-propylacetamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-propylacetamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-propylacetamide is CCCN(C(=O)[C@@H](c1ccccc1C)N(C)C)C1CC1.
What is the InChIKey of (2R)-N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-propylacetamide?
The InChIKey is TXEJBAPKDCEMKG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-12-19(14-10-11-14)17(20)16(18(3)4)15-9-7-6-8-13(15)2/h6-9,14,16H,5,10-12H2,1-4H3/t16-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-propylacetamide?
(2R)-N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-propylacetamide has a molecular weight of 274.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-propylacetamide is sourced from PubChem (CID 97282177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).