4-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]benzamide

C15H24N4O2 — CID 111235117

IUPAC4-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]benzamide
SMILESCCN/C(=N\Cc1ccc(C(N)=O)cc1)NC(C)COC
InChIInChI=1S/C15H24N4O2/c1-4-17-15(19-11(2)10-21-3)18-9-12-5-7-13(8-6-12)14(16)20/h5-8,11H,4,9-10H2,1-3H3,(H2,16,20)(H2,17,18,19)
InChIKeyJIINGXSZEOENOV-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.88
Rot. Bonds7

About 4-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]benzamide

4-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]benzamide (PubChem CID 111235117) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]benzamide
PubChem CID111235117
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name4-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]benzamide
SMILESCCN/C(=N\Cc1ccc(C(N)=O)cc1)NC(C)COC
InChIInChI=1S/C15H24N4O2/c1-4-17-15(19-11(2)10-21-3)18-9-12-5-7-13(8-6-12)14(16)20/h5-8,11H,4,9-10H2,1-3H3,(H2,16,20)(H2,17,18,19)
InChIKeyJIINGXSZEOENOV-UHFFFAOYSA-N
XLogP0.88
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.88
H-Bond Donors ≤ 53
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

2-[(4-chlorophenyl)methyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111237813
2-benzyl-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236133
2-[[4-(diethylaminomethyl)phenyl]methyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111237549
N-[4-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]phenyl]butanamide
CID 111237363
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111234928
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236003
1-ethyl-3-(1-methoxypropan-2-yl)-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111235297
N-butan-2-yl-4-[[[(butan-2-ylamino)-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 110944119
N-[3-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]phenyl]-2-methylbutanamide
CID 111235883
N-ethyl-4-[[[ethylamino-(propan-2-ylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111124820
1-ethyl-3-(1-methoxypropan-2-yl)-2-[(3-propan-2-yloxyphenyl)methyl]guanidine
CID 111237217
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111234708

Frequently Asked Questions

What is the IUPAC name of 4-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]benzamide?
The IUPAC name of 4-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]benzamide (CID 111235117) is 4-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]benzamide.
What is the SMILES notation for 4-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]benzamide?
The canonical SMILES for 4-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]benzamide is CCN/C(=N\Cc1ccc(C(N)=O)cc1)NC(C)COC.
What is the InChIKey of 4-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]benzamide?
The InChIKey is JIINGXSZEOENOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-17-15(19-11(2)10-21-3)18-9-12-5-7-13(8-6-12)14(16)20/h5-8,11H,4,9-10H2,1-3H3,(H2,16,20)(H2,17,18,19).
What are the key properties of 4-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]benzamide?
4-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[ethylamino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]benzamide is sourced from PubChem (CID 111235117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).