2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide

C16H32N4O — CID 111095546

IUPAC2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide
SMILESCC(C)CC/N=C(\N)NCCNC(=O)CC1CCCCC1
InChIInChI=1S/C16H32N4O/c1-13(2)8-9-19-16(17)20-11-10-18-15(21)12-14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3,(H,18,21)(H3,17,19,20)
InChIKeyOEVHJMDMAVXQAK-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.02
Rot. Bonds8

About 2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide

2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide (PubChem CID 111095546) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide
PubChem CID111095546
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide
SMILESCC(C)CC/N=C(\N)NCCNC(=O)CC1CCCCC1
InChIInChI=1S/C16H32N4O/c1-13(2)8-9-19-16(17)20-11-10-18-15(21)12-14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3,(H,18,21)(H3,17,19,20)
InChIKeyOEVHJMDMAVXQAK-UHFFFAOYSA-N
XLogP2.02
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.02
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-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095564
N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 111094891
(2R)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313821
(2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313801
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095548
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404
2-(3-cyclopentylpropyl)-1-(3-methylbutyl)guanidine
CID 111062741
1-[2-[cyclohexyl(methyl)amino]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
CID 111057263
3-[[N'-(3-methylbutyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 111043459
2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111179117
2-cyclohexyl-N-[2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]ethyl]acetamide
CID 111127424
N-(5-chloro-4-methylpentyl)-2-cycloheptylacetamide
CID 106157136

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide (CID 111095546) is 2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide is CC(C)CC/N=C(\N)NCCNC(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide?
The InChIKey is OEVHJMDMAVXQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-13(2)8-9-19-16(17)20-11-10-18-15(21)12-14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3,(H,18,21)(H3,17,19,20).
What are the key properties of 2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide?
2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide has a molecular weight of 296.46 g/mol, XLogP of 2.02, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide is sourced from PubChem (CID 111095546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).