N,N-diethyl-4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoylamino]butanamide

C20H38N4O3 — CID 86999561

IUPACN,N-diethyl-4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoylamino]butanamide
SMILESCCN(CC)C(=O)CCCNC(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C20H38N4O3/c1-3-23(4-2)18(25)9-8-12-21-19(26)22-17-20(10-6-5-7-11-20)24-13-15-27-16-14-24/h3-17H2,1-2H3,(H2,21,22,26)
InChIKeyURTSTAVCPVCSJG-UHFFFAOYSA-N
MW382.55 g/mol
LogP1.97
Rot. Bonds9

About N,N-diethyl-4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoylamino]butanamide

N,N-diethyl-4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoylamino]butanamide (PubChem CID 86999561) has the molecular formula C20H38N4O3 and a molecular weight of 382.55 g/mol. Its IUPAC name is N,N-diethyl-4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoylamino]butanamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoylamino]butanamide
PubChem CID86999561
Molecular FormulaC20H38N4O3
Molecular Weight382.55 g/mol
Exact Mass382.29
IUPAC NameN,N-diethyl-4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoylamino]butanamide
SMILESCCN(CC)C(=O)CCCNC(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C20H38N4O3/c1-3-23(4-2)18(25)9-8-12-21-19(26)22-17-20(10-6-5-7-11-20)24-13-15-27-16-14-24/h3-17H2,1-2H3,(H2,21,22,26)
InChIKeyURTSTAVCPVCSJG-UHFFFAOYSA-N
XLogP1.97
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-Cyclohexyl-ureido)-cyclohexanecarboxylic acid (3-morpholin-4-yl-propyl)-amide
CID 648415
2-methyl-N-[(morpholin-4-ylcyclohexyl)methyl]propanamide
CID 17010885
N-Isopropyl-9-(2-methoxyethyl)-1-methyl-10-oxo-1,4,9-triazaspiro[5.6]dodecane-4-carboxamide
CID 72879281
N-(1,4-diisocyanobutyl)-1-morpholin-4-ylcyclohexane-1-carboxamide
CID 135003764
(3R,4S)-3-ethyl-4-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 28991281
N1-Cyclohexyl-4-fluoro-N4-(2-methoxyethyl)piperidine-1,4-dicarboxamide
CID 132443012
1-Cyclohexyl-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea
CID 1444523
1-(cyclohexylcarbamoylamino)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 3230436
3-methyl-N-[(morpholin-4-ylcyclohexyl)methyl]butanamide
CID 16455843
2-ethyl-N-[(morpholin-4-ylcyclohexyl)methyl]butanamide
CID 16455844
N-[(morpholin-4-ylcyclohexyl)methyl]pentanamide
CID 17010882
N-[(morpholin-4-ylcyclohexyl)methyl]butanamide
CID 17010883

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoylamino]butanamide?
The IUPAC name of N,N-diethyl-4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoylamino]butanamide (CID 86999561) is N,N-diethyl-4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoylamino]butanamide.
What is the SMILES notation for N,N-diethyl-4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoylamino]butanamide?
The canonical SMILES for N,N-diethyl-4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoylamino]butanamide is CCN(CC)C(=O)CCCNC(=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of N,N-diethyl-4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoylamino]butanamide?
The InChIKey is URTSTAVCPVCSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O3/c1-3-23(4-2)18(25)9-8-12-21-19(26)22-17-20(10-6-5-7-11-20)24-13-15-27-16-14-24/h3-17H2,1-2H3,(H2,21,22,26).
What are the key properties of N,N-diethyl-4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoylamino]butanamide?
N,N-diethyl-4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoylamino]butanamide has a molecular weight of 382.55 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(1-morpholin-4-ylcyclohexyl)methylcarbamoylamino]butanamide is sourced from PubChem (CID 86999561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).