2-[[[2-(4-tert-butylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide

C20H32N4O — CID 111891963

IUPAC2-[[[2-(4-tert-butylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H32N4O/c1-5-21-19(23-14-18(25)24-17-10-11-17)22-13-12-15-6-8-16(9-7-15)20(2,3)4/h6-9,17H,5,10-14H2,1-4H3,(H,24,25)(H2,21,22,23)
InChIKeyUIKDOEUCGYCQFG-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.36
Rot. Bonds7

About 2-[[[2-(4-tert-butylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide

2-[[[2-(4-tert-butylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide (PubChem CID 111891963) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-[[[2-(4-tert-butylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[[2-(4-tert-butylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide
PubChem CID111891963
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name2-[[[2-(4-tert-butylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H32N4O/c1-5-21-19(23-14-18(25)24-17-10-11-17)22-13-12-15-6-8-16(9-7-15)20(2,3)4/h6-9,17H,5,10-14H2,1-4H3,(H,24,25)(H2,21,22,23)
InChIKeyUIKDOEUCGYCQFG-UHFFFAOYSA-N
XLogP2.36
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.36
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-cyclopropyl-2-[[ethylamino-[2-[4-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111295894
N-cyclopropyl-2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111649430
N-tert-butyl-2-[[[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylamino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111385283
N-cyclopropyl-2-[[[2-(3,4-diethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111246377
N-cyclopropyl-2-[[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111563542
N-cyclohexyl-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111214935
3-[2-[[N'-[2-(cyclopropylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111634142
N-cyclopropyl-2-[4-[2-[[N-ethyl-N'-(2-methoxy-2-methylpropyl)carbamimidoyl]amino]ethyl]phenoxy]acetamide
CID 111608231
N-cyclopropyl-4-[[ethylamino-(2-phenylethylamino)methylidene]amino]butanamide
CID 111135367
2-[(4-tert-butylphenyl)methyl]-1-cyclopropyl-3-ethylguanidine
CID 110989487
N-cyclopropyl-2-[4-[2-[(N-ethyl-N'-pentylcarbamimidoyl)amino]ethyl]phenoxy]acetamide
CID 111130382
tert-butyl N-[3-[[N'-[2-(cyclopropylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111885938

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(4-tert-butylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[[2-(4-tert-butylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide (CID 111891963) is 2-[[[2-(4-tert-butylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[[2-(4-tert-butylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[[2-(4-tert-butylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide is CCN/C(=N\CC(=O)NC1CC1)NCCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[[[2-(4-tert-butylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide?
The InChIKey is UIKDOEUCGYCQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-5-21-19(23-14-18(25)24-17-10-11-17)22-13-12-15-6-8-16(9-7-15)20(2,3)4/h6-9,17H,5,10-14H2,1-4H3,(H,24,25)(H2,21,22,23).
What are the key properties of 2-[[[2-(4-tert-butylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide?
2-[[[2-(4-tert-butylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide has a molecular weight of 344.50 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(4-tert-butylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide is sourced from PubChem (CID 111891963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).