N-cyclohexyl-3-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]propanamide

C21H41N5O2 — CID 111368789

IUPACN-cyclohexyl-3-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]propanamide
SMILESCCN/C(=N\CC1CN(CC(C)C)CCO1)NCCC(=O)NC1CCCCC1
InChIInChI=1S/C21H41N5O2/c1-4-22-21(23-11-10-20(27)25-18-8-6-5-7-9-18)24-14-19-16-26(12-13-28-19)15-17(2)3/h17-19H,4-16H2,1-3H3,(H,25,27)(H2,22,23,24)
InChIKeyPWCRNWNQKMWHRU-UHFFFAOYSA-N
MW395.59 g/mol
LogP1.74
Rot. Bonds9

About N-cyclohexyl-3-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]propanamide

N-cyclohexyl-3-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]propanamide (PubChem CID 111368789) has the molecular formula C21H41N5O2 and a molecular weight of 395.59 g/mol. Its IUPAC name is N-cyclohexyl-3-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]propanamide
PubChem CID111368789
Molecular FormulaC21H41N5O2
Molecular Weight395.59 g/mol
Exact Mass395.33
IUPAC NameN-cyclohexyl-3-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]propanamide
SMILESCCN/C(=N\CC1CN(CC(C)C)CCO1)NCCC(=O)NC1CCCCC1
InChIInChI=1S/C21H41N5O2/c1-4-22-21(23-11-10-20(27)25-18-8-6-5-7-9-18)24-14-19-16-26(12-13-28-19)15-17(2)3/h17-19H,4-16H2,1-3H3,(H,25,27)(H2,22,23,24)
InChIKeyPWCRNWNQKMWHRU-UHFFFAOYSA-N
XLogP1.74
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.59
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-cyclohexyl-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 110958751
1-cyclohexyl-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 110958750
2-cyclohexyl-N-[2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]acetamide
CID 111369787
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
N-cyclohexyl-3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111188772
N-cyclohexyl-3-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]amino]propanamide
CID 111179178
1-cyclohexyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111032554
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine
CID 110982307
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 109439850
N-[2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 111369790

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]propanamide?
The IUPAC name of N-cyclohexyl-3-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]propanamide (CID 111368789) is N-cyclohexyl-3-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]propanamide is CCN/C(=N\CC1CN(CC(C)C)CCO1)NCCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]propanamide?
The InChIKey is PWCRNWNQKMWHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N5O2/c1-4-22-21(23-11-10-20(27)25-18-8-6-5-7-9-18)24-14-19-16-26(12-13-28-19)15-17(2)3/h17-19H,4-16H2,1-3H3,(H,25,27)(H2,22,23,24).
What are the key properties of N-cyclohexyl-3-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]propanamide?
N-cyclohexyl-3-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]propanamide has a molecular weight of 395.59 g/mol, XLogP of 1.74, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]propanamide is sourced from PubChem (CID 111368789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).