1-(3-morpholin-4-ylpropanoylamino)-3-octadecylurea

C26H52N4O3 — CID 18968658

IUPAC1-(3-morpholin-4-ylpropanoylamino)-3-octadecylurea
SMILESCCCCCCCCCCCCCCCCCCNC(=O)NNC(=O)CCN1CCOCC1
InChIInChI=1S/C26H52N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-27-26(32)29-28-25(31)18-20-30-21-23-33-24-22-30/h2-24H2,1H3,(H,28,31)(H2,27,29,32)
InChIKeyKWIRZJZMAKQHAO-UHFFFAOYSA-N
MW468.73 g/mol
LogP5.30
Rot. Bonds20

About 1-(3-morpholin-4-ylpropanoylamino)-3-octadecylurea

1-(3-morpholin-4-ylpropanoylamino)-3-octadecylurea (PubChem CID 18968658) has the molecular formula C26H52N4O3 and a molecular weight of 468.73 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropanoylamino)-3-octadecylurea.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropanoylamino)-3-octadecylurea
PubChem CID18968658
Molecular FormulaC26H52N4O3
Molecular Weight468.73 g/mol
Exact Mass468.40
IUPAC Name1-(3-morpholin-4-ylpropanoylamino)-3-octadecylurea
SMILESCCCCCCCCCCCCCCCCCCNC(=O)NNC(=O)CCN1CCOCC1
InChIInChI=1S/C26H52N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-27-26(32)29-28-25(31)18-20-30-21-23-33-24-22-30/h2-24H2,1H3,(H,28,31)(H2,27,29,32)
InChIKeyKWIRZJZMAKQHAO-UHFFFAOYSA-N
XLogP5.30
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.73
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-morpholin-4-ylethyl)-3-pentylurea
CID 108988288
3-(2-morpholin-4-ylethylamino)-N-pentylpropanamide
CID 109016748
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid
CID 172692510
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide
CID 108960403
N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 162122494
(Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide
CID 169211001
4-hexylmorpholine
CID 3614751
6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid
CID 61194288
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
hexadecyl N-(3-morpholin-4-ylpropyl)carbamate
CID 18968646

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropanoylamino)-3-octadecylurea?
The IUPAC name of 1-(3-morpholin-4-ylpropanoylamino)-3-octadecylurea (CID 18968658) is 1-(3-morpholin-4-ylpropanoylamino)-3-octadecylurea.
What is the SMILES notation for 1-(3-morpholin-4-ylpropanoylamino)-3-octadecylurea?
The canonical SMILES for 1-(3-morpholin-4-ylpropanoylamino)-3-octadecylurea is CCCCCCCCCCCCCCCCCCNC(=O)NNC(=O)CCN1CCOCC1.
What is the InChIKey of 1-(3-morpholin-4-ylpropanoylamino)-3-octadecylurea?
The InChIKey is KWIRZJZMAKQHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-27-26(32)29-28-25(31)18-20-30-21-23-33-24-22-30/h2-24H2,1H3,(H,28,31)(H2,27,29,32).
What are the key properties of 1-(3-morpholin-4-ylpropanoylamino)-3-octadecylurea?
1-(3-morpholin-4-ylpropanoylamino)-3-octadecylurea has a molecular weight of 468.73 g/mol, XLogP of 5.30, 20 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropanoylamino)-3-octadecylurea is sourced from PubChem (CID 18968658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).