N-cyclopropyl-4-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]butanamide

C18H36N4O — CID 111204664

IUPACN-cyclopropyl-4-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]butanamide
SMILESC/N=C(\NCCCCCCC(C)C)NCCCC(=O)NC1CC1
InChIInChI=1S/C18H36N4O/c1-15(2)9-6-4-5-7-13-20-18(19-3)21-14-8-10-17(23)22-16-11-12-16/h15-16H,4-14H2,1-3H3,(H,22,23)(H2,19,20,21)
InChIKeyKTMUJHSZPQFPAL-UHFFFAOYSA-N
MW324.51 g/mol
LogP2.82
Rot. Bonds12

About N-cyclopropyl-4-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]butanamide

N-cyclopropyl-4-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]butanamide (PubChem CID 111204664) has the molecular formula C18H36N4O and a molecular weight of 324.51 g/mol. Its IUPAC name is N-cyclopropyl-4-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]butanamide
PubChem CID111204664
Molecular FormulaC18H36N4O
Molecular Weight324.51 g/mol
Exact Mass324.29
IUPAC NameN-cyclopropyl-4-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]butanamide
SMILESC/N=C(\NCCCCCCC(C)C)NCCCC(=O)NC1CC1
InChIInChI=1S/C18H36N4O/c1-15(2)9-6-4-5-7-13-20-18(19-3)21-14-8-10-17(23)22-16-11-12-16/h15-16H,4-14H2,1-3H3,(H,22,23)(H2,19,20,21)
InChIKeyKTMUJHSZPQFPAL-UHFFFAOYSA-N
XLogP2.82
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-cyclopropyl-4-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]butanamide
CID 111002059
N-cyclopropyl-4-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]butanamide
CID 111125811
N-cyclopropyl-4-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]butanamide
CID 111195048
N-cyclopropyl-4-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]butanamide
CID 111691442
N-cyclopropyl-4-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]butanamide
CID 111891245
N-cyclopropyl-4-[[N-(3-ethoxypropyl)-N'-methylcarbamimidoyl]amino]butanamide
CID 111222561
N-cyclopropyl-4-[[N-(2-ethoxyethyl)-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide
CID 111895894
4-[[N-(3-cyclohexylpropyl)-N'-methylcarbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111947474
4-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
CID 109482722
4-[[N-[3-(azepan-1-yl)propyl]-N'-methylcarbamimidoyl]amino]-N-cyclopropylbutanamide
CID 111324658
N-cyclopropyl-4-[[N-[3-(4-methoxyphenyl)butyl]-N'-methylcarbamimidoyl]amino]butanamide
CID 111640974
N-cyclohexyl-3-[(N-hexyl-N'-methylcarbamimidoyl)amino]propanamide
CID 111161669

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]butanamide (CID 111204664) is N-cyclopropyl-4-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]butanamide is C/N=C(\NCCCCCCC(C)C)NCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]butanamide?
The InChIKey is KTMUJHSZPQFPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O/c1-15(2)9-6-4-5-7-13-20-18(19-3)21-14-8-10-17(23)22-16-11-12-16/h15-16H,4-14H2,1-3H3,(H,22,23)(H2,19,20,21).
What are the key properties of N-cyclopropyl-4-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]butanamide?
N-cyclopropyl-4-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]butanamide has a molecular weight of 324.51 g/mol, XLogP of 2.82, 12 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]butanamide is sourced from PubChem (CID 111204664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).