2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide

C19H32N4O — CID 111090945

IUPAC2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
SMILESCC(C)CCCC(C)N/C(N)=N/CC(=O)NCCc1ccccc1
InChIInChI=1S/C19H32N4O/c1-15(2)8-7-9-16(3)23-19(20)22-14-18(24)21-13-12-17-10-5-4-6-11-17/h4-6,10-11,15-16H,7-9,12-14H2,1-3H3,(H,21,24)(H3,20,22,23)
InChIKeyKRSNGVICPBIUAT-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.46
Rot. Bonds10

About 2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide

2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide (PubChem CID 111090945) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
PubChem CID111090945
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
SMILESCC(C)CCCC(C)N/C(N)=N/CC(=O)NCCc1ccccc1
InChIInChI=1S/C19H32N4O/c1-15(2)8-7-9-16(3)23-19(20)22-14-18(24)21-13-12-17-10-5-4-6-11-17/h4-6,10-11,15-16H,7-9,12-14H2,1-3H3,(H,21,24)(H3,20,22,23)
InChIKeyKRSNGVICPBIUAT-UHFFFAOYSA-N
XLogP2.46
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide
CID 111042694
2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111090997
2-(3-methylbutyl)-1-(2-phenylethyl)guanidine
CID 111022873
N-[(2R)-6-methylheptan-2-yl]-2-phenylacetamide
CID 2423706
2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide
CID 111001469
2-[[amino-(4-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090956
2-[[amino-(3-propan-2-ylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090978
2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide
CID 111073617
2-(3-benzylsulfonylpropyl)-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111065197
1-(6-methylheptan-2-yl)-2-[[1-(2-phenylethyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111911581
1-octan-2-yl-2-(2-phenylethyl)guanidine
CID 10870662
2-[[amino-(3-ethylanilino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090960

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide (CID 111090945) is 2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide is CC(C)CCCC(C)N/C(N)=N/CC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide?
The InChIKey is KRSNGVICPBIUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-15(2)8-7-9-16(3)23-19(20)22-14-18(24)21-13-12-17-10-5-4-6-11-17/h4-6,10-11,15-16H,7-9,12-14H2,1-3H3,(H,21,24)(H3,20,22,23).
What are the key properties of 2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide?
2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide has a molecular weight of 332.49 g/mol, XLogP of 2.46, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 111090945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).