propan-2-yl N-(furan-2-carbonyl)-N'-(3-phenylpropyl)carbamimidate

C18H22N2O3 — CID 4235851

IUPACpropan-2-yl N-(furan-2-carbonyl)-N'-(3-phenylpropyl)carbamimidate
SMILESCC(C)O/C(=N\CCCc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C18H22N2O3/c1-14(2)23-18(20-17(21)16-11-7-13-22-16)19-12-6-10-15-8-4-3-5-9-15/h3-5,7-9,11,13-14H,6,10,12H2,1-2H3,(H,19,20,21)
InChIKeyZBRBGEIKTUZVIM-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.42
Rot. Bonds6

About propan-2-yl N-(furan-2-carbonyl)-N'-(3-phenylpropyl)carbamimidate

propan-2-yl N-(furan-2-carbonyl)-N'-(3-phenylpropyl)carbamimidate (PubChem CID 4235851) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is propan-2-yl N-(furan-2-carbonyl)-N'-(3-phenylpropyl)carbamimidate.

Molecular Properties

Compound Namepropan-2-yl N-(furan-2-carbonyl)-N'-(3-phenylpropyl)carbamimidate
PubChem CID4235851
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Namepropan-2-yl N-(furan-2-carbonyl)-N'-(3-phenylpropyl)carbamimidate
SMILESCC(C)O/C(=N\CCCc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C18H22N2O3/c1-14(2)23-18(20-17(21)16-11-7-13-22-16)19-12-6-10-15-8-4-3-5-9-15/h3-5,7-9,11,13-14H,6,10,12H2,1-2H3,(H,19,20,21)
InChIKeyZBRBGEIKTUZVIM-UHFFFAOYSA-N
XLogP3.42
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze propan-2-yl N-(furan-2-carbonyl)-N'-(3-phenylpropyl)carbamimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylpropyl N-(furan-2-carbonyl)-N'-(3-methylbutyl)carbamimidate
CID 7297610
ethyl N'-[(2S)-butan-2-yl]-N-(furan-2-carbonyl)carbamimidate
CID 7439494
N-[[(2S)-4-phenylbutan-2-yl]carbamothioyl]furan-2-carboxamide
CID 2429752
2-methylpropyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-carbonyl)carbamimidate
CID 7347954
ethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate
CID 7414333
2-methoxyethyl N'-[(2R)-5-(diethylamino)pentan-2-yl]-N-(furan-2-carbonyl)carbamimidate
CID 7338343
propan-2-yl N'-benzyl-N-(thiophene-2-carbonyl)carbamimidate
CID 7288444
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448
methane;propan-2-yl furan-2-carboxylate
CID 157166715
N-ethyl-4-(furan-2-carbonyl)-N'-(3-phenylpropyl)piperazine-1-carboximidamide
CID 111166833
2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-(3-phenylpropyl)carbamimidate
CID 46125593
N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide
CID 2524355

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(furan-2-carbonyl)-N'-(3-phenylpropyl)carbamimidate?
The IUPAC name of propan-2-yl N-(furan-2-carbonyl)-N'-(3-phenylpropyl)carbamimidate (CID 4235851) is propan-2-yl N-(furan-2-carbonyl)-N'-(3-phenylpropyl)carbamimidate.
What is the SMILES notation for propan-2-yl N-(furan-2-carbonyl)-N'-(3-phenylpropyl)carbamimidate?
The canonical SMILES for propan-2-yl N-(furan-2-carbonyl)-N'-(3-phenylpropyl)carbamimidate is CC(C)O/C(=N\CCCc1ccccc1)NC(=O)c1ccco1.
What is the InChIKey of propan-2-yl N-(furan-2-carbonyl)-N'-(3-phenylpropyl)carbamimidate?
The InChIKey is ZBRBGEIKTUZVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-14(2)23-18(20-17(21)16-11-7-13-22-16)19-12-6-10-15-8-4-3-5-9-15/h3-5,7-9,11,13-14H,6,10,12H2,1-2H3,(H,19,20,21).
What are the key properties of propan-2-yl N-(furan-2-carbonyl)-N'-(3-phenylpropyl)carbamimidate?
propan-2-yl N-(furan-2-carbonyl)-N'-(3-phenylpropyl)carbamimidate has a molecular weight of 314.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(furan-2-carbonyl)-N'-(3-phenylpropyl)carbamimidate is sourced from PubChem (CID 4235851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).