N'-cycloheptyl-N-(2-morpholin-4-ylethyl)propanediamide

C16H29N3O3 — CID 108944023

IUPACN'-cycloheptyl-N-(2-morpholin-4-ylethyl)propanediamide
SMILESO=C(CC(=O)NC1CCCCCC1)NCCN1CCOCC1
InChIInChI=1S/C16H29N3O3/c20-15(17-7-8-19-9-11-22-12-10-19)13-16(21)18-14-5-3-1-2-4-6-14/h14H,1-13H2,(H,17,20)(H,18,21)
InChIKeyTWKAQHQJJAUSQL-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.66
Rot. Bonds6

About N'-cycloheptyl-N-(2-morpholin-4-ylethyl)propanediamide

N'-cycloheptyl-N-(2-morpholin-4-ylethyl)propanediamide (PubChem CID 108944023) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is N'-cycloheptyl-N-(2-morpholin-4-ylethyl)propanediamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-(2-morpholin-4-ylethyl)propanediamide
PubChem CID108944023
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC NameN'-cycloheptyl-N-(2-morpholin-4-ylethyl)propanediamide
SMILESO=C(CC(=O)NC1CCCCCC1)NCCN1CCOCC1
InChIInChI=1S/C16H29N3O3/c20-15(17-7-8-19-9-11-22-12-10-19)13-16(21)18-14-5-3-1-2-4-6-14/h14H,1-13H2,(H,17,20)(H,18,21)
InChIKeyTWKAQHQJJAUSQL-UHFFFAOYSA-N
XLogP0.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea
CID 47163906
4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109147192
1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973625
N-cyclopentyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111079328
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclopentanecarboxamide
CID 47178269
(2S)-2-amino-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide
CID 83340454
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
3-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-3-oxopropanamide
CID 108943424
5-N-cyclopentyl-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109102673
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N-cyclopropyl-4-(2-morpholin-4-ylethylamino)butanamide
CID 79394794
N-cyclohexyl-3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111188772

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-(2-morpholin-4-ylethyl)propanediamide?
The IUPAC name of N'-cycloheptyl-N-(2-morpholin-4-ylethyl)propanediamide (CID 108944023) is N'-cycloheptyl-N-(2-morpholin-4-ylethyl)propanediamide.
What is the SMILES notation for N'-cycloheptyl-N-(2-morpholin-4-ylethyl)propanediamide?
The canonical SMILES for N'-cycloheptyl-N-(2-morpholin-4-ylethyl)propanediamide is O=C(CC(=O)NC1CCCCCC1)NCCN1CCOCC1.
What is the InChIKey of N'-cycloheptyl-N-(2-morpholin-4-ylethyl)propanediamide?
The InChIKey is TWKAQHQJJAUSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c20-15(17-7-8-19-9-11-22-12-10-19)13-16(21)18-14-5-3-1-2-4-6-14/h14H,1-13H2,(H,17,20)(H,18,21).
What are the key properties of N'-cycloheptyl-N-(2-morpholin-4-ylethyl)propanediamide?
N'-cycloheptyl-N-(2-morpholin-4-ylethyl)propanediamide has a molecular weight of 311.43 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-(2-morpholin-4-ylethyl)propanediamide is sourced from PubChem (CID 108944023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).