N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide

C18H26N2O3 — CID 78779484

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)NCCNC(=O)C2CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-2-3-4-13-23-16-9-7-15(8-10-16)18(22)20-12-11-19-17(21)14-5-6-14/h7-10,14H,2-6,11-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyBWICDDRBTOOYHG-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.51
Rot. Bonds10

About N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide

N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide (PubChem CID 78779484) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide
PubChem CID78779484
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)NCCNC(=O)C2CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-2-3-4-13-23-16-9-7-15(8-10-16)18(22)20-12-11-19-17(21)14-5-6-14/h7-10,14H,2-6,11-13H2,1H3,(H,19,21)(H,20,22)
InChIKeyBWICDDRBTOOYHG-UHFFFAOYSA-N
XLogP2.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide
CID 51153166
4-butoxy-N-hexadecylbenzamide
CID 4936106
4-butoxy-N-cyclobutylbenzamide
CID 71449411
N-butyl-4-propoxybenzamide
CID 17142951
[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537565
4-butoxy-N'-(4-pentylcyclohexanecarbonyl)benzohydrazide
CID 3093891
4-[(4-tert-butylphenoxy)methyl]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 112767636
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814
4-(cyclopropanecarbonylamino)-N-[4-(4-fluorophenoxy)butyl]benzamide
CID 42572169
4-pentoxybenzohydrazide
CID 2727702
N-(2-methoxyethyl)-4-[(4-pentoxybenzoyl)amino]benzamide
CID 17218273
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 51153011

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide (CID 78779484) is N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)NCCNC(=O)C2CC2)cc1.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide?
The InChIKey is BWICDDRBTOOYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-2-3-4-13-23-16-9-7-15(8-10-16)18(22)20-12-11-19-17(21)14-5-6-14/h7-10,14H,2-6,11-13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide has a molecular weight of 318.42 g/mol, XLogP of 2.51, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide is sourced from PubChem (CID 78779484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).