N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-3-methoxybenzamide

C15H24N4O2 — CID 111043016

IUPACN-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-3-methoxybenzamide
SMILESCCCC/N=C(\N)NCCNC(=O)c1cccc(OC)c1
InChIInChI=1S/C15H24N4O2/c1-3-4-8-18-15(16)19-10-9-17-14(20)12-6-5-7-13(11-12)21-2/h5-7,11H,3-4,8-10H2,1-2H3,(H,17,20)(H3,16,18,19)
InChIKeyFOXCJVQNTAOCCI-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.13
Rot. Bonds8

About N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-3-methoxybenzamide

N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-3-methoxybenzamide (PubChem CID 111043016) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-3-methoxybenzamide
PubChem CID111043016
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-3-methoxybenzamide
SMILESCCCC/N=C(\N)NCCNC(=O)c1cccc(OC)c1
InChIInChI=1S/C15H24N4O2/c1-3-4-8-18-15(16)19-10-9-17-14(20)12-6-5-7-13(11-12)21-2/h5-7,11H,3-4,8-10H2,1-2H3,(H,17,20)(H3,16,18,19)
InChIKeyFOXCJVQNTAOCCI-UHFFFAOYSA-N
XLogP1.13
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.13
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

3-methoxy-N-tridecylbenzamide
CID 139819898
N-[2-[[N'-(3-butoxypropyl)-N-ethylcarbamimidoyl]amino]ethyl]-3-methoxybenzamide
CID 111240135
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[3-[[amino-(3-methoxyanilino)methylidene]amino]propyl]-3-bromobenzamide;hydroiodide
CID 111094126
N-[2-[[amino-(4-butan-2-ylanilino)methylidene]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 111043011
4-bromo-N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]benzamide
CID 111075523
nonyl 3-[(3-methoxybenzoyl)amino]propanoate
CID 91715386
N-[3-[[amino-(octylamino)methylidene]amino]propyl]benzamide
CID 111094065
N-[2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]ethyl]-3-methoxybenzamide
CID 111043064
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 111158408

Frequently Asked Questions

What is the IUPAC name of N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-3-methoxybenzamide (CID 111043016) is N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-3-methoxybenzamide is CCCC/N=C(\N)NCCNC(=O)c1cccc(OC)c1.
What is the InChIKey of N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-3-methoxybenzamide?
The InChIKey is FOXCJVQNTAOCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-4-8-18-15(16)19-10-9-17-14(20)12-6-5-7-13(11-12)21-2/h5-7,11H,3-4,8-10H2,1-2H3,(H,17,20)(H3,16,18,19).
What are the key properties of N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-3-methoxybenzamide?
N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-3-methoxybenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.13, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 111043016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).