N-ethyl-2-[[ethylamino-[(1-phenylcyclopropyl)methylamino]methylidene]amino]acetamide

C17H26N4O — CID 111855792

IUPACN-ethyl-2-[[ethylamino-[(1-phenylcyclopropyl)methylamino]methylidene]amino]acetamide
SMILESCCNC(=O)C/N=C(\NCC)NCC1(c2ccccc2)CC1
InChIInChI=1S/C17H26N4O/c1-3-18-15(22)12-20-16(19-4-2)21-13-17(10-11-17)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,18,22)(H2,19,20,21)
InChIKeyTUFOJMSWYDCJJE-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.41
Rot. Bonds7

About N-ethyl-2-[[ethylamino-[(1-phenylcyclopropyl)methylamino]methylidene]amino]acetamide

N-ethyl-2-[[ethylamino-[(1-phenylcyclopropyl)methylamino]methylidene]amino]acetamide (PubChem CID 111855792) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-ethyl-2-[[ethylamino-[(1-phenylcyclopropyl)methylamino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[ethylamino-[(1-phenylcyclopropyl)methylamino]methylidene]amino]acetamide
PubChem CID111855792
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-ethyl-2-[[ethylamino-[(1-phenylcyclopropyl)methylamino]methylidene]amino]acetamide
SMILESCCNC(=O)C/N=C(\NCC)NCC1(c2ccccc2)CC1
InChIInChI=1S/C17H26N4O/c1-3-18-15(22)12-20-16(19-4-2)21-13-17(10-11-17)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,18,22)(H2,19,20,21)
InChIKeyTUFOJMSWYDCJJE-UHFFFAOYSA-N
XLogP1.41
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.41
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-[(1-phenylcyclopentyl)methylamino]methylidene]amino]acetamide
CID 111852544
N-ethyl-2-[[ethylamino-[[1-(3-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]acetamide
CID 111638688
N-ethyl-2-[[ethylamino-[[1-(3-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]acetamide;hydroiodide
CID 111638687
2-[[ethylamino-[(1-phenylcyclobutyl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111364849
1-ethyl-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111855693
1-ethyl-2-[(1-hydroxycyclopentyl)methyl]-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111998337
N-ethyl-2-[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 111637219
1-ethyl-3-[(1-phenylcyclopropyl)methyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111260313
2-[[[[1-(3-bromophenyl)cyclopropyl]methylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide
CID 111572757
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111856002
2-[[ethylamino-[[1-(4-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111366128
2-[[[[1-(3-bromophenyl)cyclopropyl]methylamino]-(ethylamino)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 111983283

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[ethylamino-[(1-phenylcyclopropyl)methylamino]methylidene]amino]acetamide?
The IUPAC name of N-ethyl-2-[[ethylamino-[(1-phenylcyclopropyl)methylamino]methylidene]amino]acetamide (CID 111855792) is N-ethyl-2-[[ethylamino-[(1-phenylcyclopropyl)methylamino]methylidene]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[ethylamino-[(1-phenylcyclopropyl)methylamino]methylidene]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[ethylamino-[(1-phenylcyclopropyl)methylamino]methylidene]amino]acetamide is CCNC(=O)C/N=C(\NCC)NCC1(c2ccccc2)CC1.
What is the InChIKey of N-ethyl-2-[[ethylamino-[(1-phenylcyclopropyl)methylamino]methylidene]amino]acetamide?
The InChIKey is TUFOJMSWYDCJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-3-18-15(22)12-20-16(19-4-2)21-13-17(10-11-17)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,18,22)(H2,19,20,21).
What are the key properties of N-ethyl-2-[[ethylamino-[(1-phenylcyclopropyl)methylamino]methylidene]amino]acetamide?
N-ethyl-2-[[ethylamino-[(1-phenylcyclopropyl)methylamino]methylidene]amino]acetamide has a molecular weight of 302.42 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[ethylamino-[(1-phenylcyclopropyl)methylamino]methylidene]amino]acetamide is sourced from PubChem (CID 111855792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).