2-cyclohexyl-N-[2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]acetamide

C22H43N5O2 — CID 111369787

IUPAC2-cyclohexyl-N-[2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]acetamide
SMILESCCN/C(=N\CC1CN(CC(C)C)CCO1)NCCNC(=O)CC1CCCCC1
InChIInChI=1S/C22H43N5O2/c1-4-23-22(26-15-20-17-27(12-13-29-20)16-18(2)3)25-11-10-24-21(28)14-19-8-6-5-7-9-19/h18-20H,4-17H2,1-3H3,(H,24,28)(H2,23,25,26)
InChIKeyPEOFHFSPGGMJNR-UHFFFAOYSA-N
MW409.62 g/mol
LogP1.98
Rot. Bonds10

About 2-cyclohexyl-N-[2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]acetamide

2-cyclohexyl-N-[2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]acetamide (PubChem CID 111369787) has the molecular formula C22H43N5O2 and a molecular weight of 409.62 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]acetamide
PubChem CID111369787
Molecular FormulaC22H43N5O2
Molecular Weight409.62 g/mol
Exact Mass409.34
IUPAC Name2-cyclohexyl-N-[2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]acetamide
SMILESCCN/C(=N\CC1CN(CC(C)C)CCO1)NCCNC(=O)CC1CCCCC1
InChIInChI=1S/C22H43N5O2/c1-4-23-22(26-15-20-17-27(12-13-29-20)16-18(2)3)25-11-10-24-21(28)14-19-8-6-5-7-9-19/h18-20H,4-17H2,1-3H3,(H,24,28)(H2,23,25,26)
InChIKeyPEOFHFSPGGMJNR-UHFFFAOYSA-N
XLogP1.98
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.62
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-cyclohexyl-3-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]propanamide
CID 111368789
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-propylguanidine
CID 111227827
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-propylguanidine;hydroiodide
CID 111227826
1-(3-cyclopropylpropyl)-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111796988
1-cyclohexyl-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 110958751
N-[2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 111369790
1-cyclohexyl-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 110958750
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine
CID 110982307
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-(oxan-4-yloxy)propyl]guanidine
CID 111667214
2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111179117
1-ethyl-3-(3-methylbutyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 110978053
1-[2-(benzenesulfonyl)ethyl]-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369133

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]acetamide (CID 111369787) is 2-cyclohexyl-N-[2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]acetamide is CCN/C(=N\CC1CN(CC(C)C)CCO1)NCCNC(=O)CC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]acetamide?
The InChIKey is PEOFHFSPGGMJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N5O2/c1-4-23-22(26-15-20-17-27(12-13-29-20)16-18(2)3)25-11-10-24-21(28)14-19-8-6-5-7-9-19/h18-20H,4-17H2,1-3H3,(H,24,28)(H2,23,25,26).
What are the key properties of 2-cyclohexyl-N-[2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]acetamide?
2-cyclohexyl-N-[2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]acetamide has a molecular weight of 409.62 g/mol, XLogP of 1.98, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]acetamide is sourced from PubChem (CID 111369787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).