N-(4-tert-butylbenzenecarboximidoyl)morpholine-4-carboxamide

C16H23N3O2 — CID 171130040

IUPACN-(4-tert-butylbenzenecarboximidoyl)morpholine-4-carboxamide
SMILES[H]/N=C(\NC(=O)N1CCOCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)13-6-4-12(5-7-13)14(17)18-15(20)19-8-10-21-11-9-19/h4-7H,8-11H2,1-3H3,(H2,17,18,20)
InChIKeyVWCXHYCUVPUGRV-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.35
Rot. Bonds1

About N-(4-tert-butylbenzenecarboximidoyl)morpholine-4-carboxamide

N-(4-tert-butylbenzenecarboximidoyl)morpholine-4-carboxamide (PubChem CID 171130040) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(4-tert-butylbenzenecarboximidoyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylbenzenecarboximidoyl)morpholine-4-carboxamide
PubChem CID171130040
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(4-tert-butylbenzenecarboximidoyl)morpholine-4-carboxamide
SMILES[H]/N=C(\NC(=O)N1CCOCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)13-6-4-12(5-7-13)14(17)18-15(20)19-8-10-21-11-9-19/h4-7H,8-11H2,1-3H3,(H2,17,18,20)
InChIKeyVWCXHYCUVPUGRV-UHFFFAOYSA-N
XLogP2.35
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-(morpholine-4-carbothioyl)benzamide
CID 2732832
4-tert-butyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258300
4-tert-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51163379
3-imino-N,2-dimethyl-2-(methylamino)-3-[4-(morpholine-4-carbonyl)phenyl]propanamide
CID 123829103
N-acetylmorpholine-4-carboxamide
CID 102407930
N-[2-(4-fluorophenyl)-2-hydroxypropyl]morpholine-4-carboxamide
CID 110291409
N-[4-(methylcarbamoyl)phenyl]morpholine-4-carboxamide
CID 47033018
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]morpholine-4-carboxamide
CID 60603703
[2-(4-tert-butylanilino)pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 109252130
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
N-[(2S)-5-tert-butyl-2-(trichloromethyl)-1,3-benzodioxol-2-yl]morpholine-4-carboxamide
CID 1042540
N-[[4-(2-methyl-2-phenylpropanoyl)morpholin-3-yl]methyl]-4-[N-(2,2,2-trifluoroacetyl)carbamimidoyl]benzamide
CID 171924583

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylbenzenecarboximidoyl)morpholine-4-carboxamide?
The IUPAC name of N-(4-tert-butylbenzenecarboximidoyl)morpholine-4-carboxamide (CID 171130040) is N-(4-tert-butylbenzenecarboximidoyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylbenzenecarboximidoyl)morpholine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylbenzenecarboximidoyl)morpholine-4-carboxamide is [H]/N=C(\NC(=O)N1CCOCC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylbenzenecarboximidoyl)morpholine-4-carboxamide?
The InChIKey is VWCXHYCUVPUGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)13-6-4-12(5-7-13)14(17)18-15(20)19-8-10-21-11-9-19/h4-7H,8-11H2,1-3H3,(H2,17,18,20).
What are the key properties of N-(4-tert-butylbenzenecarboximidoyl)morpholine-4-carboxamide?
N-(4-tert-butylbenzenecarboximidoyl)morpholine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylbenzenecarboximidoyl)morpholine-4-carboxamide is sourced from PubChem (CID 171130040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).