N-cyclopropyl-2-[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]acetamide

C20H30N4O — CID 111852544

IUPACN-cyclopropyl-2-[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C20H30N4O/c1-2-21-19(22-14-18(25)24-17-10-11-17)23-15-20(12-6-7-13-20)16-8-4-3-5-9-16/h3-5,8-9,17H,2,6-7,10-15H2,1H3,(H,24,25)(H2,21,22,23)
InChIKeyOXTYHMQERYXNCZ-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.33
Rot. Bonds7

About N-cyclopropyl-2-[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]acetamide

N-cyclopropyl-2-[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]acetamide (PubChem CID 111852544) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]acetamide
PubChem CID111852544
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC NameN-cyclopropyl-2-[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CC1)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C20H30N4O/c1-2-21-19(22-14-18(25)24-17-10-11-17)23-15-20(12-6-7-13-20)16-8-4-3-5-9-16/h3-5,8-9,17H,2,6-7,10-15H2,1H3,(H,24,25)(H2,21,22,23)
InChIKeyOXTYHMQERYXNCZ-UHFFFAOYSA-N
XLogP2.33
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.33
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-ethyl-2-[[ethylamino-[(1-phenylcyclopropyl)methylamino]methylidene]amino]acetamide
CID 111855792
2-[[[[1-(3-bromophenyl)cyclopropyl]methylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide
CID 111572757
N-cyclopropyl-2-[[ethylamino-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]methylidene]amino]acetamide;hydroiodide
CID 111687417
N-cyclohexyl-2-[[ethylamino-[[1-(3-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]acetamide
CID 111638506
2-[[ethylamino-[(1-phenylcyclobutyl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111364849
N-ethyl-2-[[ethylamino-[(1-thiophen-2-ylcyclohexyl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 111637219
1-ethyl-2-[(1-hydroxycyclopentyl)methyl]-3-[(1-phenylcyclopropyl)methyl]guanidine
CID 111998337
4-[[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111852467
N-cyclohexyl-3-[[N-ethyl-N'-[(1-phenylcyclopropyl)methyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111857069
N-cyclopropyl-2-[[ethylamino-(1-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110949777
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]acetamide (CID 111852544) is N-cyclopropyl-2-[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC1CC1)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of N-cyclopropyl-2-[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]acetamide?
The InChIKey is OXTYHMQERYXNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-2-21-19(22-14-18(25)24-17-10-11-17)23-15-20(12-6-7-13-20)16-8-4-3-5-9-16/h3-5,8-9,17H,2,6-7,10-15H2,1H3,(H,24,25)(H2,21,22,23).
What are the key properties of N-cyclopropyl-2-[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]acetamide?
N-cyclopropyl-2-[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]acetamide has a molecular weight of 342.49 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[ethylamino-[(1-phenylcyclopentyl)methylamino]methylidene]amino]acetamide is sourced from PubChem (CID 111852544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).