N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide

C17H26N2O2 — CID 110649192

IUPACN-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(C)(C)NC(=O)CCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)18-16(20)9-6-14-4-7-15(8-5-14)19-10-12-21-13-11-19/h4-5,7-8H,6,9-13H2,1-3H3,(H,18,20)
InChIKeyTZHAPNWUIKHXJD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.37
Rot. Bonds4

About N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide

N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 110649192) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide
PubChem CID110649192
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(C)(C)NC(=O)CCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)18-16(20)9-6-14-4-7-15(8-5-14)19-10-12-21-13-11-19/h4-5,7-8H,6,9-13H2,1-3H3,(H,18,20)
InChIKeyTZHAPNWUIKHXJD-UHFFFAOYSA-N
XLogP2.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-(4-morpholin-4-ylphenyl)propanamide
CID 110647271
N-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110650035
N-(3,4-dimethylphenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110649726
N-tert-butyl-2-[[N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]carbamimidoyl]amino]acetamide
CID 111385398
1-[2-(tert-butylamino)-2-oxoethyl]-N-(4-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
CID 18200139
N-(4-cyanophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110651342
tert-butyl 4-[4-(3-morpholin-4-yl-3-oxopropyl)phenyl]piperazine-1-carboxylate
CID 22179854
5-(4-morpholin-4-ylphenyl)pentanamide
CID 155168497
N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110647246
1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea
CID 110405022
3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 91755643
N-methyl-2-(4-morpholin-4-ylphenyl)ethanamine
CID 82616430

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide (CID 110649192) is N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide is CC(C)(C)NC(=O)CCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is TZHAPNWUIKHXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)18-16(20)9-6-14-4-7-15(8-5-14)19-10-12-21-13-11-19/h4-5,7-8H,6,9-13H2,1-3H3,(H,18,20).
What are the key properties of N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide?
N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 110649192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).