N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-(pyridin-4-ylmethyl)acetamide

C20H25N3O — CID 72881383

IUPACN-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccccc1C(C(=O)N(Cc1ccncc1)C1CC1)N(C)C
InChIInChI=1S/C20H25N3O/c1-15-6-4-5-7-18(15)19(22(2)3)20(24)23(17-8-9-17)14-16-10-12-21-13-11-16/h4-7,10-13,17,19H,8-9,14H2,1-3H3
InChIKeyLGNMLDMKIBFJIO-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.18
Rot. Bonds6

About N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-(pyridin-4-ylmethyl)acetamide

N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 72881383) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID72881383
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccccc1C(C(=O)N(Cc1ccncc1)C1CC1)N(C)C
InChIInChI=1S/C20H25N3O/c1-15-6-4-5-7-18(15)19(22(2)3)20(24)23(17-8-9-17)14-16-10-12-21-13-11-16/h4-7,10-13,17,19H,8-9,14H2,1-3H3
InChIKeyLGNMLDMKIBFJIO-UHFFFAOYSA-N
XLogP3.18
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-propylacetamide
CID 97282177
2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide
CID 167754693
(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 97193399
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
CID 71943890
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
CID 93368626
N-cyclopropyl-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011279
1-cyclopropyl-3-(2-methylsulfanylphenyl)-1-(pyridin-4-ylmethyl)urea
CID 86987117
N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869747
3-[cyclopropyl(pyridin-4-ylmethyl)amino]-3-oxopropanoic acid
CID 62230754
2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 72873094
2-(4-tert-butylphenoxy)-N-cyclopropyl-N-(pyridin-4-ylmethyl)propanamide
CID 55602806

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-(pyridin-4-ylmethyl)acetamide (CID 72881383) is N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-(pyridin-4-ylmethyl)acetamide is Cc1ccccc1C(C(=O)N(Cc1ccncc1)C1CC1)N(C)C.
What is the InChIKey of N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is LGNMLDMKIBFJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15-6-4-5-7-18(15)19(22(2)3)20(24)23(17-8-9-17)14-16-10-12-21-13-11-16/h4-7,10-13,17,19H,8-9,14H2,1-3H3.
What are the key properties of N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-(pyridin-4-ylmethyl)acetamide?
N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 323.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(dimethylamino)-2-(2-methylphenyl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 72881383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).