(2R)-N-[(2S)-5-(carbamoylamino)-1-cyclohexyl-1-oxopentan-2-yl]-2-cycloheptylpropanamide

C22H39N3O3 — CID 149380536

IUPAC(2R)-N-[(2S)-5-(carbamoylamino)-1-cyclohexyl-1-oxopentan-2-yl]-2-cycloheptylpropanamide
SMILESC[C@@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)C1CCCCC1)C1CCCCCC1
InChIInChI=1S/C22H39N3O3/c1-16(17-10-5-2-3-6-11-17)21(27)25-19(14-9-15-24-22(23)28)20(26)18-12-7-4-8-13-18/h16-19H,2-15H2,1H3,(H,25,27)(H3,23,24,28)/t16-,19+/m1/s1
InChIKeyYLOFZCOBIBXJNW-APWZRJJASA-N
MW393.57 g/mol
LogP3.68
Rot. Bonds9

About (2R)-N-[(2S)-5-(carbamoylamino)-1-cyclohexyl-1-oxopentan-2-yl]-2-cycloheptylpropanamide

(2R)-N-[(2S)-5-(carbamoylamino)-1-cyclohexyl-1-oxopentan-2-yl]-2-cycloheptylpropanamide (PubChem CID 149380536) has the molecular formula C22H39N3O3 and a molecular weight of 393.57 g/mol. Its IUPAC name is (2R)-N-[(2S)-5-(carbamoylamino)-1-cyclohexyl-1-oxopentan-2-yl]-2-cycloheptylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-5-(carbamoylamino)-1-cyclohexyl-1-oxopentan-2-yl]-2-cycloheptylpropanamide
PubChem CID149380536
Molecular FormulaC22H39N3O3
Molecular Weight393.57 g/mol
Exact Mass393.30
IUPAC Name(2R)-N-[(2S)-5-(carbamoylamino)-1-cyclohexyl-1-oxopentan-2-yl]-2-cycloheptylpropanamide
SMILESC[C@@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)C1CCCCC1)C1CCCCCC1
InChIInChI=1S/C22H39N3O3/c1-16(17-10-5-2-3-6-11-17)21(27)25-19(14-9-15-24-22(23)28)20(26)18-12-7-4-8-13-18/h16-19H,2-15H2,1H3,(H,25,27)(H3,23,24,28)/t16-,19+/m1/s1
InChIKeyYLOFZCOBIBXJNW-APWZRJJASA-N
XLogP3.68
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.57
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (2R)-N-[(2S)-5-(carbamoylamino)-1-cyclohexyl-1-oxopentan-2-yl]-2-cycloheptylpropanamide?
The IUPAC name of (2R)-N-[(2S)-5-(carbamoylamino)-1-cyclohexyl-1-oxopentan-2-yl]-2-cycloheptylpropanamide (CID 149380536) is (2R)-N-[(2S)-5-(carbamoylamino)-1-cyclohexyl-1-oxopentan-2-yl]-2-cycloheptylpropanamide.
What is the SMILES notation for (2R)-N-[(2S)-5-(carbamoylamino)-1-cyclohexyl-1-oxopentan-2-yl]-2-cycloheptylpropanamide?
The canonical SMILES for (2R)-N-[(2S)-5-(carbamoylamino)-1-cyclohexyl-1-oxopentan-2-yl]-2-cycloheptylpropanamide is C[C@@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)C1CCCCC1)C1CCCCCC1.
What is the InChIKey of (2R)-N-[(2S)-5-(carbamoylamino)-1-cyclohexyl-1-oxopentan-2-yl]-2-cycloheptylpropanamide?
The InChIKey is YLOFZCOBIBXJNW-APWZRJJASA-N. The full InChI is InChI=1S/C22H39N3O3/c1-16(17-10-5-2-3-6-11-17)21(27)25-19(14-9-15-24-22(23)28)20(26)18-12-7-4-8-13-18/h16-19H,2-15H2,1H3,(H,25,27)(H3,23,24,28)/t16-,19+/m1/s1.
What are the key properties of (2R)-N-[(2S)-5-(carbamoylamino)-1-cyclohexyl-1-oxopentan-2-yl]-2-cycloheptylpropanamide?
(2R)-N-[(2S)-5-(carbamoylamino)-1-cyclohexyl-1-oxopentan-2-yl]-2-cycloheptylpropanamide has a molecular weight of 393.57 g/mol, XLogP of 3.68, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-5-(carbamoylamino)-1-cyclohexyl-1-oxopentan-2-yl]-2-cycloheptylpropanamide is sourced from PubChem (CID 149380536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).