N-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide

C16H24N4O2 — CID 111040430

IUPACN-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C/N=C(\N)N2CCOCC2)cc1
InChIInChI=1S/C16H24N4O2/c1-12(2)15(21)19-14-5-3-13(4-6-14)11-18-16(17)20-7-9-22-10-8-20/h3-6,12H,7-11H2,1-2H3,(H2,17,18)(H,19,21)
InChIKeyDTBXELFXNYYNOJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.43
Rot. Bonds4

About N-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide

N-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide (PubChem CID 111040430) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide
PubChem CID111040430
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(C/N=C(\N)N2CCOCC2)cc1
InChIInChI=1S/C16H24N4O2/c1-12(2)15(21)19-14-5-3-13(4-6-14)11-18-16(17)20-7-9-22-10-8-20/h3-6,12H,7-11H2,1-2H3,(H2,17,18)(H,19,21)
InChIKeyDTBXELFXNYYNOJ-UHFFFAOYSA-N
XLogP1.43
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.43
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

1-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-3-propan-2-ylurea;hydroiodide
CID 111067239
tert-butyl 4-[N'-[[4-(2-methylpropanoylamino)phenyl]methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111040483
N-[4-[(diaminomethylideneamino)methyl]phenyl]-2-methylpropanamide
CID 110914570
methyl 4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]benzoate
CID 111024014
4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111040924
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111045453
N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044863
N-[4-[[[amino-(2-methylpropylamino)methylidene]amino]methyl]phenyl]-2-methylpropanamide;hydroiodide
CID 111040435
1-[4-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-propan-2-ylurea;hydroiodide
CID 111067285
2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide
CID 46455504
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(4-iodophenyl)acetamide;hydroiodide
CID 120913573
4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide
CID 111070775

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide (CID 111040430) is N-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(C/N=C(\N)N2CCOCC2)cc1.
What is the InChIKey of N-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide?
The InChIKey is DTBXELFXNYYNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-12(2)15(21)19-14-5-3-13(4-6-14)11-18-16(17)20-7-9-22-10-8-20/h3-6,12H,7-11H2,1-2H3,(H2,17,18)(H,19,21).
What are the key properties of N-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide?
N-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide has a molecular weight of 304.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 111040430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).