N-methyl-3-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide

C20H27N3O — CID 109026055

IUPACN-methyl-3-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide
SMILESCC(C)c1ccccc1NCCC(=O)N(C)CCc1ccncc1
InChIInChI=1S/C20H27N3O/c1-16(2)18-6-4-5-7-19(18)22-14-10-20(24)23(3)15-11-17-8-12-21-13-9-17/h4-9,12-13,16,22H,10-11,14-15H2,1-3H3
InChIKeyKIHXTTPRVIWDKA-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.71
Rot. Bonds8

About N-methyl-3-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide

N-methyl-3-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 109026055) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-methyl-3-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID109026055
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-methyl-3-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide
SMILESCC(C)c1ccccc1NCCC(=O)N(C)CCc1ccncc1
InChIInChI=1S/C20H27N3O/c1-16(2)18-6-4-5-7-19(18)22-14-10-20(24)23(3)15-11-17-8-12-21-13-9-17/h4-9,12-13,16,22H,10-11,14-15H2,1-3H3
InChIKeyKIHXTTPRVIWDKA-UHFFFAOYSA-N
XLogP3.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026051
3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 109026200
N-methyl-3-(2-morpholin-4-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide
CID 109026104
3-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 54943632
N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide
CID 110468448
3-(2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026081
N-methyl-5-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192889
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
N-methyl-3-(pentylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 109026028
N-methyl-2-(2-methylsulfonylphenyl)-N-(2-pyridin-4-ylethyl)acetamide
CID 110436877
ethyl 4-[[3-[methyl(2-pyridin-4-ylethyl)amino]-3-oxopropyl]amino]benzoate
CID 109026119

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of N-methyl-3-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide (CID 109026055) is N-methyl-3-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for N-methyl-3-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for N-methyl-3-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide is CC(C)c1ccccc1NCCC(=O)N(C)CCc1ccncc1.
What is the InChIKey of N-methyl-3-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is KIHXTTPRVIWDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-16(2)18-6-4-5-7-19(18)22-14-10-20(24)23(3)15-11-17-8-12-21-13-9-17/h4-9,12-13,16,22H,10-11,14-15H2,1-3H3.
What are the key properties of N-methyl-3-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide?
N-methyl-3-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 325.46 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 109026055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).