N-(4-chlorophenyl)-4-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]butanamide

C18H29ClN4O2 — CID 111945195

IUPACN-(4-chlorophenyl)-4-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]butanamide
SMILESCCOCCCCN/C(=N\C)NCCCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H29ClN4O2/c1-3-25-14-5-4-12-21-18(20-2)22-13-6-7-17(24)23-16-10-8-15(19)9-11-16/h8-11H,3-7,12-14H2,1-2H3,(H,23,24)(H2,20,21,22)
InChIKeyGGWNVLXEPIQYJT-UHFFFAOYSA-N
MW368.91 g/mol
LogP3.04
Rot. Bonds11

About N-(4-chlorophenyl)-4-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]butanamide

N-(4-chlorophenyl)-4-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]butanamide (PubChem CID 111945195) has the molecular formula C18H29ClN4O2 and a molecular weight of 368.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]butanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]butanamide
PubChem CID111945195
Molecular FormulaC18H29ClN4O2
Molecular Weight368.91 g/mol
Exact Mass368.20
IUPAC NameN-(4-chlorophenyl)-4-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]butanamide
SMILESCCOCCCCN/C(=N\C)NCCCC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H29ClN4O2/c1-3-25-14-5-4-12-21-18(20-2)22-13-6-7-17(24)23-16-10-8-15(19)9-11-16/h8-11H,3-7,12-14H2,1-2H3,(H,23,24)(H2,20,21,22)
InChIKeyGGWNVLXEPIQYJT-UHFFFAOYSA-N
XLogP3.04
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 53.04
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-(4-bromophenyl)-3-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]propanamide
CID 111945095
N-(4-chlorophenyl)-4-[(N'-methyl-N-prop-2-enylcarbamimidoyl)amino]butanamide;hydroiodide
CID 110981118
N-(4-chlorophenyl)-4-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]butanamide;hydroiodide
CID 111124604
N-(4-chlorophenyl)-4-[[N-[2-[3-methoxypropyl(methyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]butanamide
CID 111650446
1-[2-(4-chlorophenyl)ethyl]-3-(4-ethoxybutyl)-2-methylguanidine;hydroiodide
CID 111196507
N-(4-chlorophenyl)-3-ethoxypropanamide
CID 2972757
N-(4-chlorophenyl)-4-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]butanamide;hydroiodide
CID 110990862
4-chloro-N-[2-[[N-(3-ethoxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111222904
N-(4-chlorophenyl)-4-[[N-[(2-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]butanamide
CID 111216177
N-(4-chlorophenyl)-4-[[N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]butanamide
CID 111534700
N-(4-chlorophenyl)-4-[[N'-methyl-N-(2-methylcyclopropyl)carbamimidoyl]amino]butanamide;hydroiodide
CID 111962458
1-[2-(4-chlorophenoxy)propyl]-3-(4-ethoxybutyl)-2-methylguanidine
CID 111680602

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]butanamide?
The IUPAC name of N-(4-chlorophenyl)-4-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]butanamide (CID 111945195) is N-(4-chlorophenyl)-4-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]butanamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]butanamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]butanamide is CCOCCCCN/C(=N\C)NCCCC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]butanamide?
The InChIKey is GGWNVLXEPIQYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN4O2/c1-3-25-14-5-4-12-21-18(20-2)22-13-6-7-17(24)23-16-10-8-15(19)9-11-16/h8-11H,3-7,12-14H2,1-2H3,(H,23,24)(H2,20,21,22).
What are the key properties of N-(4-chlorophenyl)-4-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]butanamide?
N-(4-chlorophenyl)-4-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]butanamide has a molecular weight of 368.91 g/mol, XLogP of 3.04, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[[N-(4-ethoxybutyl)-N'-methylcarbamimidoyl]amino]butanamide is sourced from PubChem (CID 111945195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).