N-cyclopentyl-3-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]propanamide

C22H41N5O2 — CID 111003097

IUPACN-cyclopentyl-3-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]propanamide
SMILESCCN/C(=N\CC1(N2CCOCC2)CCCCC1)NCCC(=O)NC1CCCC1
InChIInChI=1S/C22H41N5O2/c1-2-23-21(24-13-10-20(28)26-19-8-4-5-9-19)25-18-22(11-6-3-7-12-22)27-14-16-29-17-15-27/h19H,2-18H2,1H3,(H,26,28)(H2,23,24,25)
InChIKeyOYGBRBYLQZLOSW-UHFFFAOYSA-N
MW407.60 g/mol
LogP2.03
Rot. Bonds8

About N-cyclopentyl-3-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]propanamide

N-cyclopentyl-3-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]propanamide (PubChem CID 111003097) has the molecular formula C22H41N5O2 and a molecular weight of 407.60 g/mol. Its IUPAC name is N-cyclopentyl-3-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]propanamide
PubChem CID111003097
Molecular FormulaC22H41N5O2
Molecular Weight407.60 g/mol
Exact Mass407.33
IUPAC NameN-cyclopentyl-3-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]propanamide
SMILESCCN/C(=N\CC1(N2CCOCC2)CCCCC1)NCCC(=O)NC1CCCC1
InChIInChI=1S/C22H41N5O2/c1-2-23-21(24-13-10-20(28)26-19-8-4-5-9-19)25-18-22(11-6-3-7-12-22)27-14-16-29-17-15-27/h19H,2-18H2,1H3,(H,26,28)(H2,23,24,25)
InChIKeyOYGBRBYLQZLOSW-UHFFFAOYSA-N
XLogP2.03
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 52.03
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

N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[3-(trifluoromethyl)cyclohexyl]amino]methylidene]amino]acetamide
CID 110038941
N-methyl-2-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 111499871
2-[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111499872
2-[[ethylamino-[(1-morpholin-4-ylcyclohexyl)methylamino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111499873
N-[3-cyano-1-(cyclohexylmethyl)pyrrolidin-3-yl]-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide
CID 91076477
(5R)-6-cyclopentyl-2-(2-morpholin-4-ylethylamino)-1,4,5,6-tetrahydropyrimidine-5-carboxamide
CID 143881523
3-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 18152212
N-cyclohexyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 46991290
3-[(1-morpholin-4-ylcyclohexyl)methylcarbamoylamino]-N-propan-2-ylpropanamide
CID 86999557
2-[1-[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]piperidin-4-yl]-N-methylacetamide
CID 109517875
N-methyl-2-[1-[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]piperidin-4-yl]acetamide
CID 109520589
N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109645070

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]propanamide?
The IUPAC name of N-cyclopentyl-3-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]propanamide (CID 111003097) is N-cyclopentyl-3-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]propanamide is CCN/C(=N\CC1(N2CCOCC2)CCCCC1)NCCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]propanamide?
The InChIKey is OYGBRBYLQZLOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N5O2/c1-2-23-21(24-13-10-20(28)26-19-8-4-5-9-19)25-18-22(11-6-3-7-12-22)27-14-16-29-17-15-27/h19H,2-18H2,1H3,(H,26,28)(H2,23,24,25).
What are the key properties of N-cyclopentyl-3-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]propanamide?
N-cyclopentyl-3-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]propanamide has a molecular weight of 407.60 g/mol, XLogP of 2.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]propanamide is sourced from PubChem (CID 111003097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).