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

C19H30N4O2 — CID 111830799

IUPACethyl N-[1-cyclopropyl-2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate
SMILESCCOC(=O)NC(CN/C(=N\C)NCC(C)c1ccccc1)C1CC1
InChIInChI=1S/C19H30N4O2/c1-4-25-19(24)23-17(16-10-11-16)13-22-18(20-3)21-12-14(2)15-8-6-5-7-9-15/h5-9,14,16-17H,4,10-13H2,1-3H3,(H,23,24)(H2,20,21,22)
InChIKeyAFBHFZBQYMMKDY-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.48
Rot. Bonds8

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

ethyl N-[1-cyclopropyl-2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate (PubChem CID 111830799) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is ethyl N-[1-cyclopropyl-2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-cyclopropyl-2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate
PubChem CID111830799
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Nameethyl N-[1-cyclopropyl-2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate
SMILESCCOC(=O)NC(CN/C(=N\C)NCC(C)c1ccccc1)C1CC1
InChIInChI=1S/C19H30N4O2/c1-4-25-19(24)23-17(16-10-11-16)13-22-18(20-3)21-12-14(2)15-8-6-5-7-9-15/h5-9,14,16-17H,4,10-13H2,1-3H3,(H,23,24)(H2,20,21,22)
InChIKeyAFBHFZBQYMMKDY-UHFFFAOYSA-N
XLogP2.48
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.48
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-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate
CID 111830811
ethyl N-[1-cyclopropyl-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]ethyl]carbamate;hydroiodide
CID 111827290
ethyl N-[1-cyclopropyl-2-[(N'-methyl-N-propylcarbamimidoyl)amino]ethyl]carbamate;hydroiodide
CID 111829000
ethyl N-[1-cyclopropyl-2-[[N-[(3-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111829563
ethyl N-[1-cyclopropyl-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]ethyl]carbamate;hydroiodide
CID 111828474
ethyl 4-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]butanoate
CID 111342173
ethyl N-[1-cyclopropyl-2-[[N-[3-(cyclopropylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111831888
ethyl N-[2-[[N-[2-(cyclohexen-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]-1-cyclopropylethyl]carbamate;hydroiodide
CID 111828752
ethyl N-[1-cyclopropyl-2-[[N-ethyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111826221
tert-butyl N-[1-cyclopropyl-2-(2-phenylpropylamino)ethyl]carbamate
CID 107095366
ethyl N-[4-methyl-1-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]pentan-2-yl]carbamate;hydroiodide
CID 110949833
ethyl N-[2-[[N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]-1-cyclopropylethyl]carbamate;hydroiodide
CID 109462839

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-cyclopropyl-2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate?
The IUPAC name of ethyl N-[1-cyclopropyl-2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate (CID 111830799) is ethyl N-[1-cyclopropyl-2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[1-cyclopropyl-2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[1-cyclopropyl-2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate is CCOC(=O)NC(CN/C(=N\C)NCC(C)c1ccccc1)C1CC1.
What is the InChIKey of ethyl N-[1-cyclopropyl-2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate?
The InChIKey is AFBHFZBQYMMKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-25-19(24)23-17(16-10-11-16)13-22-18(20-3)21-12-14(2)15-8-6-5-7-9-15/h5-9,14,16-17H,4,10-13H2,1-3H3,(H,23,24)(H2,20,21,22).
What are the key properties of ethyl N-[1-cyclopropyl-2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate?
ethyl N-[1-cyclopropyl-2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate has a molecular weight of 346.48 g/mol, XLogP of 2.48, 8 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'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]carbamate is sourced from PubChem (CID 111830799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).