N-cyclopropyl-4-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]butanamide

C16H32N4O — CID 111195048

IUPACN-cyclopropyl-4-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]butanamide
SMILESCCCCCC(C)N/C(=N\C)NCCCC(=O)NC1CC1
InChIInChI=1S/C16H32N4O/c1-4-5-6-8-13(2)19-16(17-3)18-12-7-9-15(21)20-14-10-11-14/h13-14H,4-12H2,1-3H3,(H,20,21)(H2,17,18,19)
InChIKeyKTOGUTBEHGFGAU-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.18
Rot. Bonds10

About N-cyclopropyl-4-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]butanamide

N-cyclopropyl-4-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]butanamide (PubChem CID 111195048) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is N-cyclopropyl-4-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]butanamide
PubChem CID111195048
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC NameN-cyclopropyl-4-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]butanamide
SMILESCCCCCC(C)N/C(=N\C)NCCCC(=O)NC1CC1
InChIInChI=1S/C16H32N4O/c1-4-5-6-8-13(2)19-16(17-3)18-12-7-9-15(21)20-14-10-11-14/h13-14H,4-12H2,1-3H3,(H,20,21)(H2,17,18,19)
InChIKeyKTOGUTBEHGFGAU-UHFFFAOYSA-N
XLogP2.18
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.18
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'}

Analyze N-cyclopropyl-4-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
4-[[N-(4-cyclohexylbutan-2-yl)-N'-methylcarbamimidoyl]amino]-N-cyclopropylbutanamide;hydroiodide
CID 109482722
N-cyclopropyl-4-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]butanamide
CID 111204664
N-cyclohexyl-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide
CID 111195692
N-cyclopropyl-4-(nonan-2-ylamino)butanamide
CID 79394259
N-cyclopropyl-4-(hexan-2-ylamino)butanamide
CID 79394095
N-cyclopropyl-4-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]butanamide
CID 111891245
N-cyclopropyl-4-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]butanamide
CID 111691442
N-cyclopropyl-4-[[N-(3-ethoxypropyl)-N'-methylcarbamimidoyl]amino]butanamide
CID 111222561
methyl 5-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]pentanoate
CID 111195178
N-cyclopropyl-4-[[N-[1-(4-ethylphenyl)ethyl]-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide
CID 111321681

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]butanamide (CID 111195048) is N-cyclopropyl-4-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]butanamide is CCCCCC(C)N/C(=N\C)NCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]butanamide?
The InChIKey is KTOGUTBEHGFGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-4-5-6-8-13(2)19-16(17-3)18-12-7-9-15(21)20-14-10-11-14/h13-14H,4-12H2,1-3H3,(H,20,21)(H2,17,18,19).
What are the key properties of N-cyclopropyl-4-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]butanamide?
N-cyclopropyl-4-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]butanamide has a molecular weight of 296.46 g/mol, XLogP of 2.18, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]butanamide is sourced from PubChem (CID 111195048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).