N-cyclopropyl-4-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]butanamide

C20H37N5O2 — CID 111003957

IUPACN-cyclopropyl-4-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]butanamide
SMILESC/N=C(\NCCCC(=O)NC1CC1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C20H37N5O2/c1-21-19(22-11-5-6-18(26)24-17-7-8-17)23-16-20(9-3-2-4-10-20)25-12-14-27-15-13-25/h17H,2-16H2,1H3,(H,24,26)(H2,21,22,23)
InChIKeyQXHQSSBUYLARBF-UHFFFAOYSA-N
MW379.55 g/mol
LogP1.25
Rot. Bonds8

About N-cyclopropyl-4-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]butanamide

N-cyclopropyl-4-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]butanamide (PubChem CID 111003957) has the molecular formula C20H37N5O2 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-cyclopropyl-4-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]butanamide
PubChem CID111003957
Molecular FormulaC20H37N5O2
Molecular Weight379.55 g/mol
Exact Mass379.29
IUPAC NameN-cyclopropyl-4-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]butanamide
SMILESC/N=C(\NCCCC(=O)NC1CC1)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C20H37N5O2/c1-21-19(22-11-5-6-18(26)24-17-7-8-17)23-16-20(9-3-2-4-10-20)25-12-14-27-15-13-25/h17H,2-16H2,1H3,(H,24,26)(H2,21,22,23)
InChIKeyQXHQSSBUYLARBF-UHFFFAOYSA-N
XLogP1.25
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 51.25
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-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-cyclohexyl-2-(methoxymethyl)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
CID 46991290
4-(cyclohexylcarbamoylamino)-N-[(1-morpholin-4-ylcyclohexyl)methyl]butanamide
CID 55515937
4-(cyclohexylcarbamoylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide
CID 55547628
3-[(1-morpholin-4-ylcyclohexyl)methylcarbamoylamino]-N-propan-2-ylpropanamide
CID 86999557
N,N-diethyl-4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoylamino]butanamide
CID 86999561
2-[1-[N-ethyl-N'-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]piperidin-4-yl]-N-methylacetamide;hydroiodide
CID 109517874
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;hydroiodide
CID 109520588
N-methyl-2-[1-[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]piperidin-4-yl]acetamide
CID 109520589

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]butanamide (CID 111003957) is N-cyclopropyl-4-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]butanamide is C/N=C(\NCCCC(=O)NC1CC1)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of N-cyclopropyl-4-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]butanamide?
The InChIKey is QXHQSSBUYLARBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O2/c1-21-19(22-11-5-6-18(26)24-17-7-8-17)23-16-20(9-3-2-4-10-20)25-12-14-27-15-13-25/h17H,2-16H2,1H3,(H,24,26)(H2,21,22,23).
What are the key properties of N-cyclopropyl-4-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]butanamide?
N-cyclopropyl-4-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]butanamide has a molecular weight of 379.55 g/mol, XLogP of 1.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]butanamide is sourced from PubChem (CID 111003957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).