N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

C24H31N3O4 — CID 55853763

IUPACN-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCCNC(=O)C2CCCCC2)ccc1OCc1cccnc1
InChIInChI=1S/C24H31N3O4/c1-2-30-22-15-20(10-11-21(22)31-17-18-7-6-12-25-16-18)24(29)27-14-13-26-23(28)19-8-4-3-5-9-19/h6-7,10-12,15-16,19H,2-5,8-9,13-14,17H2,1H3,(H,26,28)(H,27,29)
InChIKeyXAORBNPZUUQWNW-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.49
Rot. Bonds10

About N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55853763) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID55853763
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCCNC(=O)C2CCCCC2)ccc1OCc1cccnc1
InChIInChI=1S/C24H31N3O4/c1-2-30-22-15-20(10-11-21(22)31-17-18-7-6-12-25-16-18)24(29)27-14-13-26-23(28)19-8-4-3-5-9-19/h6-7,10-12,15-16,19H,2-5,8-9,13-14,17H2,1H3,(H,26,28)(H,27,29)
InChIKeyXAORBNPZUUQWNW-UHFFFAOYSA-N
XLogP3.49
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-(2-piperidin-3-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 119556374
3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 46584168
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
3-ethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 30837367
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
N-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 30837796
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119450928
3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 55863222
N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide
CID 51153110
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 46671493
N'-(cyclohexanecarbonyl)-3,4-diethoxybenzohydrazide
CID 912683

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide (CID 55853763) is N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)NCCNC(=O)C2CCCCC2)ccc1OCc1cccnc1.
What is the InChIKey of N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is XAORBNPZUUQWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-2-30-22-15-20(10-11-21(22)31-17-18-7-6-12-25-16-18)24(29)27-14-13-26-23(28)19-8-4-3-5-9-19/h6-7,10-12,15-16,19H,2-5,8-9,13-14,17H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 425.53 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55853763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).