N-cyclohexyl-2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]acetamide

C20H32N4O — CID 111659609

IUPACN-cyclohexyl-2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]acetamide
SMILESC/N=C(\NCC(=O)NC1CCCCC1)NCC(C)c1cccc(C)c1
InChIInChI=1S/C20H32N4O/c1-15-8-7-9-17(12-15)16(2)13-22-20(21-3)23-14-19(25)24-18-10-5-4-6-11-18/h7-9,12,16,18H,4-6,10-11,13-14H2,1-3H3,(H,24,25)(H2,21,22,23)
InChIKeyYRLCRSPRJAHDMS-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.71
Rot. Bonds6

About N-cyclohexyl-2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]acetamide

N-cyclohexyl-2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]acetamide (PubChem CID 111659609) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is N-cyclohexyl-2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]acetamide
PubChem CID111659609
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC NameN-cyclohexyl-2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]acetamide
SMILESC/N=C(\NCC(=O)NC1CCCCC1)NCC(C)c1cccc(C)c1
InChIInChI=1S/C20H32N4O/c1-15-8-7-9-17(12-15)16(2)13-22-20(21-3)23-14-19(25)24-18-10-5-4-6-11-18/h7-9,12,16,18H,4-6,10-11,13-14H2,1-3H3,(H,24,25)(H2,21,22,23)
InChIKeyYRLCRSPRJAHDMS-UHFFFAOYSA-N
XLogP2.71
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

1-cyclopentyl-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine;hydroiodide
CID 111771205
2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]-N-phenylacetamide
CID 111659735
N-cycloheptyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367500
2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide
CID 111659260
2,2-dimethyl-N-[2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111660160
N-cyclohexyl-2-[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]acetamide
CID 110934905
N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112995022
N-cyclohexyl-2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111248329
tert-butyl N-[2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111660130
2-methyl-1-[2-(3-methylphenyl)propyl]-3-(3-pyrrolidin-1-ylpropyl)guanidine
CID 111659388
N-cyclohexyl-2-[[N-[2-(3-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111396468
2-methyl-1-[2-(3-methylphenyl)propyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111660052

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]acetamide?
The IUPAC name of N-cyclohexyl-2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]acetamide (CID 111659609) is N-cyclohexyl-2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]acetamide is C/N=C(\NCC(=O)NC1CCCCC1)NCC(C)c1cccc(C)c1.
What is the InChIKey of N-cyclohexyl-2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]acetamide?
The InChIKey is YRLCRSPRJAHDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-15-8-7-9-17(12-15)16(2)13-22-20(21-3)23-14-19(25)24-18-10-5-4-6-11-18/h7-9,12,16,18H,4-6,10-11,13-14H2,1-3H3,(H,24,25)(H2,21,22,23).
What are the key properties of N-cyclohexyl-2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]acetamide?
N-cyclohexyl-2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]acetamide has a molecular weight of 344.50 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]acetamide is sourced from PubChem (CID 111659609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).