(3R)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-nonylpropanamide

C19H30FN3O2 — CID 98367833

IUPAC(3R)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-nonylpropanamide
SMILESCCCCCCCCCNC(=O)C[C@@H](NC(N)=O)c1ccccc1F
InChIInChI=1S/C19H30FN3O2/c1-2-3-4-5-6-7-10-13-22-18(24)14-17(23-19(21)25)15-11-8-9-12-16(15)20/h8-9,11-12,17H,2-7,10,13-14H2,1H3,(H,22,24)(H3,21,23,25)/t17-/m1/s1
InChIKeyVCGPFSVJXFIHSU-QGZVFWFLSA-N
MW351.47 g/mol
LogP3.79
Rot. Bonds12

About (3R)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-nonylpropanamide

(3R)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-nonylpropanamide (PubChem CID 98367833) has the molecular formula C19H30FN3O2 and a molecular weight of 351.47 g/mol. Its IUPAC name is (3R)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-nonylpropanamide.

Molecular Properties

Compound Name(3R)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-nonylpropanamide
PubChem CID98367833
Molecular FormulaC19H30FN3O2
Molecular Weight351.47 g/mol
Exact Mass351.23
IUPAC Name(3R)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-nonylpropanamide
SMILESCCCCCCCCCNC(=O)C[C@@H](NC(N)=O)c1ccccc1F
InChIInChI=1S/C19H30FN3O2/c1-2-3-4-5-6-7-10-13-22-18(24)14-17(23-19(21)25)15-11-8-9-12-16(15)20/h8-9,11-12,17H,2-7,10,13-14H2,1H3,(H,22,24)(H3,21,23,25)/t17-/m1/s1
InChIKeyVCGPFSVJXFIHSU-QGZVFWFLSA-N
XLogP3.79
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-nonylpropanamide?
The IUPAC name of (3R)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-nonylpropanamide (CID 98367833) is (3R)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-nonylpropanamide.
What is the SMILES notation for (3R)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-nonylpropanamide?
The canonical SMILES for (3R)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-nonylpropanamide is CCCCCCCCCNC(=O)C[C@@H](NC(N)=O)c1ccccc1F.
What is the InChIKey of (3R)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-nonylpropanamide?
The InChIKey is VCGPFSVJXFIHSU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H30FN3O2/c1-2-3-4-5-6-7-10-13-22-18(24)14-17(23-19(21)25)15-11-8-9-12-16(15)20/h8-9,11-12,17H,2-7,10,13-14H2,1H3,(H,22,24)(H3,21,23,25)/t17-/m1/s1.
What are the key properties of (3R)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-nonylpropanamide?
(3R)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-nonylpropanamide has a molecular weight of 351.47 g/mol, XLogP of 3.79, 12 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-nonylpropanamide is sourced from PubChem (CID 98367833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).