N-[2-[(N-ethyl-N'-hexylcarbamimidoyl)amino]ethyl]-4-methoxybenzamide

C19H32N4O2 — CID 111161547

IUPACN-[2-[(N-ethyl-N'-hexylcarbamimidoyl)amino]ethyl]-4-methoxybenzamide
SMILESCCCCCC/N=C(\NCC)NCCNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H32N4O2/c1-4-6-7-8-13-22-19(20-5-2)23-15-14-21-18(24)16-9-11-17(25-3)12-10-16/h9-12H,4-8,13-15H2,1-3H3,(H,21,24)(H2,20,22,23)
InChIKeyHRQCYMFWYNWOGF-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.56
Rot. Bonds11

About N-[2-[(N-ethyl-N'-hexylcarbamimidoyl)amino]ethyl]-4-methoxybenzamide

N-[2-[(N-ethyl-N'-hexylcarbamimidoyl)amino]ethyl]-4-methoxybenzamide (PubChem CID 111161547) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[2-[(N-ethyl-N'-hexylcarbamimidoyl)amino]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(N-ethyl-N'-hexylcarbamimidoyl)amino]ethyl]-4-methoxybenzamide
PubChem CID111161547
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[2-[(N-ethyl-N'-hexylcarbamimidoyl)amino]ethyl]-4-methoxybenzamide
SMILESCCCCCC/N=C(\NCC)NCCNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H32N4O2/c1-4-6-7-8-13-22-19(20-5-2)23-15-14-21-18(24)16-9-11-17(25-3)12-10-16/h9-12H,4-8,13-15H2,1-3H3,(H,21,24)(H2,20,22,23)
InChIKeyHRQCYMFWYNWOGF-UHFFFAOYSA-N
XLogP2.56
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[N'-(3-butoxypropyl)-N-ethylcarbamimidoyl]amino]ethyl]-4-methoxybenzamide
CID 111239039
N-[2-[[N-ethyl-N'-(3-methoxypropyl)carbamimidoyl]amino]ethyl]-4-methoxybenzamide
CID 110973731
N-[2-[bis(ethylamino)methylideneamino]ethyl]-4-methoxybenzamide
CID 110918641
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
4-methoxy-N-nonylbenzamide
CID 3557385
4-methoxy-N-[2-[(N'-methyl-N-pentylcarbamimidoyl)amino]ethyl]benzamide
CID 111128457
N-[2-[[N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111247194
N-[2-[[N-ethyl-N'-[2-(2-fluorophenyl)ethyl]carbamimidoyl]amino]ethyl]-4-methoxybenzamide
CID 111361491
N-[2-[[N'-(3-butoxypropyl)-N-ethylcarbamimidoyl]amino]ethyl]-3-methoxybenzamide
CID 111240135
N-[2-[[N'-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]-4-methoxybenzamide
CID 111278417
4-methoxy-N-pentylbenzamide
CID 3113360
N-[2-[[ethylamino-(2-phenoxyethylamino)methylidene]amino]ethyl]-4-methoxybenzamide
CID 111004871

Frequently Asked Questions

What is the IUPAC name of N-[2-[(N-ethyl-N'-hexylcarbamimidoyl)amino]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[(N-ethyl-N'-hexylcarbamimidoyl)amino]ethyl]-4-methoxybenzamide (CID 111161547) is N-[2-[(N-ethyl-N'-hexylcarbamimidoyl)amino]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[(N-ethyl-N'-hexylcarbamimidoyl)amino]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[(N-ethyl-N'-hexylcarbamimidoyl)amino]ethyl]-4-methoxybenzamide is CCCCCC/N=C(\NCC)NCCNC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[2-[(N-ethyl-N'-hexylcarbamimidoyl)amino]ethyl]-4-methoxybenzamide?
The InChIKey is HRQCYMFWYNWOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-4-6-7-8-13-22-19(20-5-2)23-15-14-21-18(24)16-9-11-17(25-3)12-10-16/h9-12H,4-8,13-15H2,1-3H3,(H,21,24)(H2,20,22,23).
What are the key properties of N-[2-[(N-ethyl-N'-hexylcarbamimidoyl)amino]ethyl]-4-methoxybenzamide?
N-[2-[(N-ethyl-N'-hexylcarbamimidoyl)amino]ethyl]-4-methoxybenzamide has a molecular weight of 348.49 g/mol, XLogP of 2.56, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(N-ethyl-N'-hexylcarbamimidoyl)amino]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 111161547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).