N-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide

C25H28N2O3 — CID 52663723

IUPACN-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)N(Cc2ccccc2)C(C)C)ccc1OCc1cccnc1
InChIInChI=1S/C25H28N2O3/c1-4-29-24-15-22(12-13-23(24)30-18-21-11-8-14-26-16-21)25(28)27(19(2)3)17-20-9-6-5-7-10-20/h5-16,19H,4,17-18H2,1-3H3
InChIKeyFJFBEJPXXHDKOU-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.11
Rot. Bonds9

About N-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide

N-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 52663723) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID52663723
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)N(Cc2ccccc2)C(C)C)ccc1OCc1cccnc1
InChIInChI=1S/C25H28N2O3/c1-4-29-24-15-22(12-13-23(24)30-18-21-11-8-14-26-16-21)25(28)27(19(2)3)17-20-9-6-5-7-10-20/h5-16,19H,4,17-18H2,1-3H3
InChIKeyFJFBEJPXXHDKOU-UHFFFAOYSA-N
XLogP5.11
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 120517164
ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682643
3-ethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 30837367
3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46588810
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)-N-(3,3,3-trifluoropropyl)benzamide
CID 86833584
(2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid
CID 119363379
N-benzyl-4-ethoxy-3-nitro-N-propan-2-ylbenzamide
CID 30099872
N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
CID 46598269
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60557001
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide (CID 52663723) is N-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)N(Cc2ccccc2)C(C)C)ccc1OCc1cccnc1.
What is the InChIKey of N-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is FJFBEJPXXHDKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-4-29-24-15-22(12-13-23(24)30-18-21-11-8-14-26-16-21)25(28)27(19(2)3)17-20-9-6-5-7-10-20/h5-16,19H,4,17-18H2,1-3H3.
What are the key properties of N-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide?
N-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 404.51 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 52663723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).