propan-2-yl 3-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoate

C17H25FN2O3 — CID 42934625

IUPACpropan-2-yl 3-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)NC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C17H25FN2O3/c1-11(2)16(13-5-7-14(18)8-6-13)20-17(22)19-10-9-15(21)23-12(3)4/h5-8,11-12,16H,9-10H2,1-4H3,(H2,19,20,22)
InChIKeyMJKSQOVCXJQITQ-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.16
Rot. Bonds7

About propan-2-yl 3-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoate

propan-2-yl 3-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoate (PubChem CID 42934625) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is propan-2-yl 3-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoate
PubChem CID42934625
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Namepropan-2-yl 3-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)NC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C17H25FN2O3/c1-11(2)16(13-5-7-14(18)8-6-13)20-17(22)19-10-9-15(21)23-12(3)4/h5-8,11-12,16H,9-10H2,1-4H3,(H2,19,20,22)
InChIKeyMJKSQOVCXJQITQ-UHFFFAOYSA-N
XLogP3.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze propan-2-yl 3-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoate 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

1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea
CID 47139588
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[1-(4-fluorophenyl)-2-methylpropyl]urea
CID 42935387
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxypropanamide
CID 112685671
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 43703533
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 79201421
N-[2-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 46486322
4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 63307815
5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid
CID 60708185
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 54924560
1-cyclopentyl-3-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]urea
CID 41327503
(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 61180745

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoate?
The IUPAC name of propan-2-yl 3-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoate (CID 42934625) is propan-2-yl 3-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoate.
What is the SMILES notation for propan-2-yl 3-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoate?
The canonical SMILES for propan-2-yl 3-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoate is CC(C)OC(=O)CCNC(=O)NC(c1ccc(F)cc1)C(C)C.
What is the InChIKey of propan-2-yl 3-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoate?
The InChIKey is MJKSQOVCXJQITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-11(2)16(13-5-7-14(18)8-6-13)20-17(22)19-10-9-15(21)23-12(3)4/h5-8,11-12,16H,9-10H2,1-4H3,(H2,19,20,22).
What are the key properties of propan-2-yl 3-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoate?
propan-2-yl 3-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoate has a molecular weight of 324.40 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[1-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoate is sourced from PubChem (CID 42934625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).