4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide

C18H26N2O4 — CID 51153166

IUPAC4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCCNC(=O)C2CC2)cc1OC
InChIInChI=1S/C18H26N2O4/c1-3-4-11-24-15-8-7-14(12-16(15)23-2)18(22)20-10-9-19-17(21)13-5-6-13/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXDPWNAKLQGNCNV-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.13
Rot. Bonds10

About 4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide

4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide (PubChem CID 51153166) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide
PubChem CID51153166
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCCNC(=O)C2CC2)cc1OC
InChIInChI=1S/C18H26N2O4/c1-3-4-11-24-15-8-7-14(12-16(15)23-2)18(22)20-10-9-19-17(21)13-5-6-13/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyXDPWNAKLQGNCNV-UHFFFAOYSA-N
XLogP2.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide
CID 51153110
N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide
CID 4880220
N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxy-4-methylbenzamide
CID 47120108
N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide
CID 78779484
N-[2-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 24553492
N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide
CID 9295314
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide
CID 119628351
4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 78800293
4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51159452
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide
CID 113101778

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide?
The IUPAC name of 4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide (CID 51153166) is 4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide?
The canonical SMILES for 4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide is CCCCOc1ccc(C(=O)NCCNC(=O)C2CC2)cc1OC.
What is the InChIKey of 4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide?
The InChIKey is XDPWNAKLQGNCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-3-4-11-24-15-8-7-14(12-16(15)23-2)18(22)20-10-9-19-17(21)13-5-6-13/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide?
4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide has a molecular weight of 334.42 g/mol, XLogP of 2.13, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 51153166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).