N-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide

C18H30N4O2 — CID 108960527

IUPACN-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
SMILESCN(C)CCCNC(=O)C(C)(C)C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C18H30N4O2/c1-18(2,16(23)20-10-6-13-21(3)4)17(24)22(5)14-9-15-7-11-19-12-8-15/h7-8,11-12H,6,9-10,13-14H2,1-5H3,(H,20,23)
InChIKeyTVXVWZXYINXXEQ-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.18
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide

N-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide (PubChem CID 108960527) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
PubChem CID108960527
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
SMILESCN(C)CCCNC(=O)C(C)(C)C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C18H30N4O2/c1-18(2,16(23)20-10-6-13-21(3)4)17(24)22(5)14-9-15-7-11-19-12-8-15/h7-8,11-12H,6,9-10,13-14H2,1-5H3,(H,20,23)
InChIKeyTVXVWZXYINXXEQ-UHFFFAOYSA-N
XLogP1.18
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108960203
N-[2-(2-methoxyphenyl)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964258
2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096535
N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 62847427
3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104288
5-[3-(dimethylamino)propylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109186113
N-(4-acetylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964579
N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108962257
2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide
CID 112993675
N-(4-chloro-2-methylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964558
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-N'-(3-phenylpropyl)propanediamide
CID 108960228
N-ethyl-N',2,2-trimethyl-N-phenyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964542

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide (CID 108960527) is N-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide is CN(C)CCCNC(=O)C(C)(C)C(=O)N(C)CCc1ccncc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The InChIKey is TVXVWZXYINXXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-18(2,16(23)20-10-6-13-21(3)4)17(24)22(5)14-9-15-7-11-19-12-8-15/h7-8,11-12H,6,9-10,13-14H2,1-5H3,(H,20,23).
What are the key properties of N-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide?
N-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide has a molecular weight of 334.46 g/mol, XLogP of 1.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide is sourced from PubChem (CID 108960527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).