tert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate

C18H27N3O4 — CID 35014792

IUPACtert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H27N3O4/c1-18(2,3)25-17(23)19-9-8-16(22)20-14-4-6-15(7-5-14)21-10-12-24-13-11-21/h4-7H,8-13H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyUFWHRMFLALGKJD-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.38
Rot. Bonds5

About tert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate

tert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate (PubChem CID 35014792) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is tert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate
PubChem CID35014792
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Nametert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H27N3O4/c1-18(2,3)25-17(23)19-9-8-16(22)20-14-4-6-15(7-5-14)21-10-12-24-13-11-21/h4-7H,8-13H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyUFWHRMFLALGKJD-UHFFFAOYSA-N
XLogP2.38
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]propanamide
CID 33164009
methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
CID 51985182
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
tert-butyl N-[3-(4-anilinoanilino)-3-oxopropyl]carbamate
CID 29265817
2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide
CID 7409258
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991
tert-butyl N-[3-oxo-3-[(4-thiomorpholin-4-ylphenyl)methylamino]propyl]carbamate
CID 47059291
3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide
CID 17462050
tert-butyl N-[2-[[N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111883570
tert-butyl N-[3-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-3-oxopropyl]carbamate
CID 32586659
3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7409256

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate (CID 35014792) is tert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of tert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate?
The InChIKey is UFWHRMFLALGKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-18(2,3)25-17(23)19-9-8-16(22)20-14-4-6-15(7-5-14)21-10-12-24-13-11-21/h4-7H,8-13H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of tert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate?
tert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate has a molecular weight of 349.43 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]carbamate is sourced from PubChem (CID 35014792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).