ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate

C20H32N4O2 — CID 111830811

IUPACethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate
SMILESCCN/C(=N\CC(C)c1ccccc1)NCC(NC(=O)OCC)C1CC1
InChIInChI=1S/C20H32N4O2/c1-4-21-19(22-13-15(3)16-9-7-6-8-10-16)23-14-18(17-11-12-17)24-20(25)26-5-2/h6-10,15,17-18H,4-5,11-14H2,1-3H3,(H,24,25)(H2,21,22,23)
InChIKeyBURDCIOCZQXPBW-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.87
Rot. Bonds9

About ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate

ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate (PubChem CID 111830811) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate
PubChem CID111830811
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Nameethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate
SMILESCCN/C(=N\CC(C)c1ccccc1)NCC(NC(=O)OCC)C1CC1
InChIInChI=1S/C20H32N4O2/c1-4-21-19(22-13-15(3)16-9-7-6-8-10-16)23-14-18(17-11-12-17)24-20(25)26-5-2/h6-10,15,17-18H,4-5,11-14H2,1-3H3,(H,24,25)(H2,21,22,23)
InChIKeyBURDCIOCZQXPBW-UHFFFAOYSA-N
XLogP2.87
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

ethyl N-[1-cyclopropyl-2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate
CID 111830799
ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111826221
ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-[(4-fluorophenyl)methyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111829138
ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111826958
ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-[(2-prop-2-enoxyphenyl)methyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111982722
ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-[2-(furan-2-yl)-2-piperidin-1-ylethyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111830153
1-(cyclopropylmethyl)-3-ethyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111342800
ethyl N-[1-cyclopropyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]ethyl]carbamate;hydroiodide
CID 111827290
ethyl N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-1-cyclopropylethyl]carbamate
CID 111826638
N-[2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111343083
ethyl N-[1-cyclopropyl-2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]ethyl]carbamate;hydroiodide
CID 111979000
2-[[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]methyl]-3-(4-fluorophenyl)propanamide
CID 111343473

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate?
The IUPAC name of ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate (CID 111830811) is ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate is CCN/C(=N\CC(C)c1ccccc1)NCC(NC(=O)OCC)C1CC1.
What is the InChIKey of ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate?
The InChIKey is BURDCIOCZQXPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-4-21-19(22-13-15(3)16-9-7-6-8-10-16)23-14-18(17-11-12-17)24-20(25)26-5-2/h6-10,15,17-18H,4-5,11-14H2,1-3H3,(H,24,25)(H2,21,22,23).
What are the key properties of ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate?
ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate has a molecular weight of 360.50 g/mol, XLogP of 2.87, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate is sourced from PubChem (CID 111830811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).