N-cyclopropyl-2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]acetamide

C19H27N5O — CID 111342083

IUPACN-cyclopropyl-2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCCCn1ccc2ccccc21
InChIInChI=1S/C19H27N5O/c1-2-20-19(22-14-18(25)23-16-8-9-16)21-11-5-12-24-13-10-15-6-3-4-7-17(15)24/h3-4,6-7,10,13,16H,2,5,8-9,11-12,14H2,1H3,(H,23,25)(H2,20,21,22)
InChIKeyMTQVKWWIABAPDV-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.87
Rot. Bonds8

About N-cyclopropyl-2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]acetamide

N-cyclopropyl-2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]acetamide (PubChem CID 111342083) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-cyclopropyl-2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]acetamide
PubChem CID111342083
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-cyclopropyl-2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCCCn1ccc2ccccc21
InChIInChI=1S/C19H27N5O/c1-2-20-19(22-14-18(25)23-16-8-9-16)21-11-5-12-24-13-10-15-6-3-4-7-17(15)24/h3-4,6-7,10,13,16H,2,5,8-9,11-12,14H2,1H3,(H,23,25)(H2,20,21,22)
InChIKeyMTQVKWWIABAPDV-UHFFFAOYSA-N
XLogP1.87
TPSA70.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111341954
2-[(1,1-dioxothiolan-3-yl)methyl]-1-ethyl-3-(3-indol-1-ylpropyl)guanidine
CID 111341507
2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111341312
1-ethyl-3-(3-indol-1-ylpropyl)-2-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 111342095
3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111341271
N-cyclohexyl-2-[[ethylamino-[3-(2-methylbenzimidazol-1-yl)propylamino]methylidene]amino]acetamide
CID 111352652
1-ethyl-3-(3-indol-1-ylpropyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111766155
methyl 3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2-methylpropanoate;hydroiodide
CID 111341614
1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-(3-indol-1-ylpropyl)guanidine
CID 111341379
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-(3-indol-1-ylpropyl)guanidine
CID 111141217
N-cyclohexyl-2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]acetamide
CID 111904839
1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(3-indol-1-ylpropyl)guanidine;hydroiodide
CID 111341446

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]acetamide (CID 111342083) is N-cyclopropyl-2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC1CC1)NCCCn1ccc2ccccc21.
What is the InChIKey of N-cyclopropyl-2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]acetamide?
The InChIKey is MTQVKWWIABAPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-2-20-19(22-14-18(25)23-16-8-9-16)21-11-5-12-24-13-10-15-6-3-4-7-17(15)24/h3-4,6-7,10,13,16H,2,5,8-9,11-12,14H2,1H3,(H,23,25)(H2,20,21,22).
What are the key properties of N-cyclopropyl-2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]acetamide?
N-cyclopropyl-2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]acetamide has a molecular weight of 341.46 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111342083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).