N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-4-ylcarbamoylamino)heptanamide

C25H41N5O4 — CID 90951494

IUPACN-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-4-ylcarbamoylamino)heptanamide
SMILESO=C(NCCCCCC(OCCN1CCOCC1)C(=O)NC1CCCCC1)Nc1ccncc1
InChIInChI=1S/C25H41N5O4/c31-24(28-21-7-3-1-4-8-21)23(34-20-17-30-15-18-33-19-16-30)9-5-2-6-12-27-25(32)29-22-10-13-26-14-11-22/h10-11,13-14,21,23H,1-9,12,15-20H2,(H,28,31)(H2,26,27,29,32)
InChIKeyLFCBUTYOYXDCDW-UHFFFAOYSA-N
MW475.63 g/mol
LogP2.93
Rot. Bonds13

About N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-4-ylcarbamoylamino)heptanamide

N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-4-ylcarbamoylamino)heptanamide (PubChem CID 90951494) has the molecular formula C25H41N5O4 and a molecular weight of 475.63 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-4-ylcarbamoylamino)heptanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-4-ylcarbamoylamino)heptanamide
PubChem CID90951494
Molecular FormulaC25H41N5O4
Molecular Weight475.63 g/mol
Exact Mass475.32
IUPAC NameN-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-4-ylcarbamoylamino)heptanamide
SMILESO=C(NCCCCCC(OCCN1CCOCC1)C(=O)NC1CCCCC1)Nc1ccncc1
InChIInChI=1S/C25H41N5O4/c31-24(28-21-7-3-1-4-8-21)23(34-20-17-30-15-18-33-19-16-30)9-5-2-6-12-27-25(32)29-22-10-13-26-14-11-22/h10-11,13-14,21,23H,1-9,12,15-20H2,(H,28,31)(H2,26,27,29,32)
InChIKeyLFCBUTYOYXDCDW-UHFFFAOYSA-N
XLogP2.93
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.63
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-2-ylmethylcarbamoylamino)heptanamide
CID 91105238
1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea
CID 47163906
1-(4-bromophenyl)-3-(4-morpholin-4-ylbutyl)urea
CID 46831361
1-(6-cyclopentyloxy-3-pyridinyl)-3-[2-(1,4-oxazepan-4-yl)ethyl]urea
CID 136534293
1-(3H-benzimidazol-5-yl)-3-(3-morpholin-4-ylpropyl)urea
CID 108885871
1-cyclohexyl-3-[4-[[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]urea
CID 50898764
4-(cycloheptylamino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207488
1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea
CID 110446919
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 60605719
1-[6-[cyclohexyl(2-morpholin-4-ylethoxy)sulfamoyl]hexyl]-3-(pyridin-3-ylmethyl)urea
CID 46183166
N-cycloheptyl-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185821
(E)-N-[5-[cyclopentyl(2-morpholin-4-ylethoxy)sulfamoyl]pentyl]-3-pyridin-4-ylprop-2-enamide
CID 46233812

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-4-ylcarbamoylamino)heptanamide?
The IUPAC name of N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-4-ylcarbamoylamino)heptanamide (CID 90951494) is N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-4-ylcarbamoylamino)heptanamide.
What is the SMILES notation for N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-4-ylcarbamoylamino)heptanamide?
The canonical SMILES for N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-4-ylcarbamoylamino)heptanamide is O=C(NCCCCCC(OCCN1CCOCC1)C(=O)NC1CCCCC1)Nc1ccncc1.
What is the InChIKey of N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-4-ylcarbamoylamino)heptanamide?
The InChIKey is LFCBUTYOYXDCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N5O4/c31-24(28-21-7-3-1-4-8-21)23(34-20-17-30-15-18-33-19-16-30)9-5-2-6-12-27-25(32)29-22-10-13-26-14-11-22/h10-11,13-14,21,23H,1-9,12,15-20H2,(H,28,31)(H2,26,27,29,32).
What are the key properties of N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-4-ylcarbamoylamino)heptanamide?
N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-4-ylcarbamoylamino)heptanamide has a molecular weight of 475.63 g/mol, XLogP of 2.93, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-morpholin-4-ylethoxy)-7-(pyridin-4-ylcarbamoylamino)heptanamide is sourced from PubChem (CID 90951494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).