N-cyclohexyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide

C18H37N5O — CID 111248329

IUPACN-cyclohexyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide
SMILESC/N=C(\NCCN(C(C)C)C(C)C)NCC(=O)NC1CCCCC1
InChIInChI=1S/C18H37N5O/c1-14(2)23(15(3)4)12-11-20-18(19-5)21-13-17(24)22-16-9-7-6-8-10-16/h14-16H,6-13H2,1-5H3,(H,22,24)(H2,19,20,21)
InChIKeyAWWJEEBTKORHDN-UHFFFAOYSA-N
MW339.53 g/mol
LogP1.72
Rot. Bonds8

About N-cyclohexyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide

N-cyclohexyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide (PubChem CID 111248329) has the molecular formula C18H37N5O and a molecular weight of 339.53 g/mol. Its IUPAC name is N-cyclohexyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide
PubChem CID111248329
Molecular FormulaC18H37N5O
Molecular Weight339.53 g/mol
Exact Mass339.30
IUPAC NameN-cyclohexyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide
SMILESC/N=C(\NCCN(C(C)C)C(C)C)NCC(=O)NC1CCCCC1
InChIInChI=1S/C18H37N5O/c1-14(2)23(15(3)4)12-11-20-18(19-5)21-13-17(24)22-16-9-7-6-8-10-16/h14-16H,6-13H2,1-5H3,(H,22,24)(H2,19,20,21)
InChIKeyAWWJEEBTKORHDN-UHFFFAOYSA-N
XLogP1.72
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-3-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111692610
N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide
CID 110934905
2-cyclohexyl-N-[2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111248352
1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea
CID 115569818
N-cyclohexyl-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 119133075
N-cyclohexyl-2-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111402370
N-cyclopropyl-4-[[N-[3-[di(propan-2-yl)amino]propyl]-N'-methylcarbamimidoyl]amino]butanamide
CID 111691442
N-cyclohexyl-2-[[N'-methyl-N-(2-piperidin-1-ylethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111417036
N-tert-butyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111248158
N-cyclohexyl-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide
CID 111195692
N-cyclohexyl-2-[[N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111930342
N-cyclohexyl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
CID 111226709

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide?
The IUPAC name of N-cyclohexyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide (CID 111248329) is N-cyclohexyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide is C/N=C(\NCCN(C(C)C)C(C)C)NCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide?
The InChIKey is AWWJEEBTKORHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5O/c1-14(2)23(15(3)4)12-11-20-18(19-5)21-13-17(24)22-16-9-7-6-8-10-16/h14-16H,6-13H2,1-5H3,(H,22,24)(H2,19,20,21).
What are the key properties of N-cyclohexyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide?
N-cyclohexyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide has a molecular weight of 339.53 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide is sourced from PubChem (CID 111248329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).