phenyl N-[(2S)-2-[1-(furan-2-yl)ethylamino]-3-methylbutanoyl]carbamate

C18H22N2O4 — CID 67845294

IUPACphenyl N-[(2S)-2-[1-(furan-2-yl)ethylamino]-3-methylbutanoyl]carbamate
SMILESCC(N[C@H](C(=O)NC(=O)Oc1ccccc1)C(C)C)c1ccco1
InChIInChI=1S/C18H22N2O4/c1-12(2)16(19-13(3)15-10-7-11-23-15)17(21)20-18(22)24-14-8-5-4-6-9-14/h4-13,16,19H,1-3H3,(H,20,21,22)/t13?,16-/m0/s1
InChIKeyCEAXVJPNJSRREI-VYIIXAMBSA-N
MW330.38 g/mol
LogP3.27
Rot. Bonds6

About phenyl N-[(2S)-2-[1-(furan-2-yl)ethylamino]-3-methylbutanoyl]carbamate

phenyl N-[(2S)-2-[1-(furan-2-yl)ethylamino]-3-methylbutanoyl]carbamate (PubChem CID 67845294) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is phenyl N-[(2S)-2-[1-(furan-2-yl)ethylamino]-3-methylbutanoyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(2S)-2-[1-(furan-2-yl)ethylamino]-3-methylbutanoyl]carbamate
PubChem CID67845294
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Namephenyl N-[(2S)-2-[1-(furan-2-yl)ethylamino]-3-methylbutanoyl]carbamate
SMILESCC(N[C@H](C(=O)NC(=O)Oc1ccccc1)C(C)C)c1ccco1
InChIInChI=1S/C18H22N2O4/c1-12(2)16(19-13(3)15-10-7-11-23-15)17(21)20-18(22)24-14-8-5-4-6-9-14/h4-13,16,19H,1-3H3,(H,20,21,22)/t13?,16-/m0/s1
InChIKeyCEAXVJPNJSRREI-VYIIXAMBSA-N
XLogP3.27
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze phenyl N-[(2S)-2-[1-(furan-2-yl)ethylamino]-3-methylbutanoyl]carbamate 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

methyl N-[(2S)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]propanoyl]carbamate
CID 8922155
[(S)-furan-2-yl(phenyl)methyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8756395
phenyl N-phenoxycarbonylcarbamate
CID 11043392
2-acetamido-N-[1-(furan-2-yl)ethyl]-3-methylbutanamide
CID 18127116
phenyl N-(1-amino-3-methyl-1-oxobutan-2-yl)carbamate
CID 18972767
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
(2R)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 8919781
phenyl N-[(E)-3-(phenoxycarbonylamino)but-2-en-2-yl]carbamate
CID 166171820
phenyl N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]carbamate
CID 7268077
N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81401281
ethyl 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-phenylacetate
CID 106677258

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(2S)-2-[1-(furan-2-yl)ethylamino]-3-methylbutanoyl]carbamate?
The IUPAC name of phenyl N-[(2S)-2-[1-(furan-2-yl)ethylamino]-3-methylbutanoyl]carbamate (CID 67845294) is phenyl N-[(2S)-2-[1-(furan-2-yl)ethylamino]-3-methylbutanoyl]carbamate.
What is the SMILES notation for phenyl N-[(2S)-2-[1-(furan-2-yl)ethylamino]-3-methylbutanoyl]carbamate?
The canonical SMILES for phenyl N-[(2S)-2-[1-(furan-2-yl)ethylamino]-3-methylbutanoyl]carbamate is CC(N[C@H](C(=O)NC(=O)Oc1ccccc1)C(C)C)c1ccco1.
What is the InChIKey of phenyl N-[(2S)-2-[1-(furan-2-yl)ethylamino]-3-methylbutanoyl]carbamate?
The InChIKey is CEAXVJPNJSRREI-VYIIXAMBSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-12(2)16(19-13(3)15-10-7-11-23-15)17(21)20-18(22)24-14-8-5-4-6-9-14/h4-13,16,19H,1-3H3,(H,20,21,22)/t13?,16-/m0/s1.
What are the key properties of phenyl N-[(2S)-2-[1-(furan-2-yl)ethylamino]-3-methylbutanoyl]carbamate?
phenyl N-[(2S)-2-[1-(furan-2-yl)ethylamino]-3-methylbutanoyl]carbamate has a molecular weight of 330.38 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(2S)-2-[1-(furan-2-yl)ethylamino]-3-methylbutanoyl]carbamate is sourced from PubChem (CID 67845294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).