N-[2-(diethylamino)-2-phenylethyl]-4-(pyridin-3-ylmethoxy)benzamide

C25H29N3O2 — CID 43060066

IUPACN-[2-(diethylamino)-2-phenylethyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(OCc2cccnc2)cc1)c1ccccc1
InChIInChI=1S/C25H29N3O2/c1-3-28(4-2)24(21-10-6-5-7-11-21)18-27-25(29)22-12-14-23(15-13-22)30-19-20-9-8-16-26-17-20/h5-17,24H,3-4,18-19H2,1-2H3,(H,27,29)
InChIKeyNOCTXTYLNWYUMK-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.47
Rot. Bonds10

About N-[2-(diethylamino)-2-phenylethyl]-4-(pyridin-3-ylmethoxy)benzamide

N-[2-(diethylamino)-2-phenylethyl]-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 43060066) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID43060066
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(OCc2cccnc2)cc1)c1ccccc1
InChIInChI=1S/C25H29N3O2/c1-3-28(4-2)24(21-10-6-5-7-11-21)18-27-25(29)22-12-14-23(15-13-22)30-19-20-9-8-16-26-17-20/h5-17,24H,3-4,18-19H2,1-2H3,(H,27,29)
InChIKeyNOCTXTYLNWYUMK-UHFFFAOYSA-N
XLogP4.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 43054752
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 166190877
N-[3-oxo-1-phenyl-3-[[4-(pyridin-3-ylmethoxy)phenyl]methylamino]propyl]benzamide
CID 55707958
4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 46654174
N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide
CID 55693376
N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46590121
4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 18167149
4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 2433841
N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide
CID 18167081
N-[2-(diethylamino)-2-phenylethyl]-3-(methoxymethyl)benzamide
CID 46446887
4-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylethyl]benzamide
CID 39952477

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-4-(pyridin-3-ylmethoxy)benzamide (CID 43060066) is N-[2-(diethylamino)-2-phenylethyl]-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-4-(pyridin-3-ylmethoxy)benzamide is CCN(CC)C(CNC(=O)c1ccc(OCc2cccnc2)cc1)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is NOCTXTYLNWYUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-3-28(4-2)24(21-10-6-5-7-11-21)18-27-25(29)22-12-14-23(15-13-22)30-19-20-9-8-16-26-17-20/h5-17,24H,3-4,18-19H2,1-2H3,(H,27,29).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-4-(pyridin-3-ylmethoxy)benzamide?
N-[2-(diethylamino)-2-phenylethyl]-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 403.53 g/mol, XLogP of 4.47, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 43060066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).