N-cyclopropyl-3-(N-formylanilino)-2-hydroxyhexanamide

C16H22N2O3 — CID 134349420

IUPACN-cyclopropyl-3-(N-formylanilino)-2-hydroxyhexanamide
SMILESCCCC(C(O)C(=O)NC1CC1)N(C=O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-2-6-14(15(20)16(21)17-12-9-10-12)18(11-19)13-7-4-3-5-8-13/h3-5,7-8,11-12,14-15,20H,2,6,9-10H2,1H3,(H,17,21)
InChIKeyVOONWRCFNYXITC-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.46
Rot. Bonds8

About N-cyclopropyl-3-(N-formylanilino)-2-hydroxyhexanamide

N-cyclopropyl-3-(N-formylanilino)-2-hydroxyhexanamide (PubChem CID 134349420) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-cyclopropyl-3-(N-formylanilino)-2-hydroxyhexanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(N-formylanilino)-2-hydroxyhexanamide
PubChem CID134349420
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-cyclopropyl-3-(N-formylanilino)-2-hydroxyhexanamide
SMILESCCCC(C(O)C(=O)NC1CC1)N(C=O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-2-6-14(15(20)16(21)17-12-9-10-12)18(11-19)13-7-4-3-5-8-13/h3-5,7-8,11-12,14-15,20H,2,6,9-10H2,1H3,(H,17,21)
InChIKeyVOONWRCFNYXITC-UHFFFAOYSA-N
XLogP1.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(N-formylanilino)-2-hydroxyhexanamide?
The IUPAC name of N-cyclopropyl-3-(N-formylanilino)-2-hydroxyhexanamide (CID 134349420) is N-cyclopropyl-3-(N-formylanilino)-2-hydroxyhexanamide.
What is the SMILES notation for N-cyclopropyl-3-(N-formylanilino)-2-hydroxyhexanamide?
The canonical SMILES for N-cyclopropyl-3-(N-formylanilino)-2-hydroxyhexanamide is CCCC(C(O)C(=O)NC1CC1)N(C=O)c1ccccc1.
What is the InChIKey of N-cyclopropyl-3-(N-formylanilino)-2-hydroxyhexanamide?
The InChIKey is VOONWRCFNYXITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-6-14(15(20)16(21)17-12-9-10-12)18(11-19)13-7-4-3-5-8-13/h3-5,7-8,11-12,14-15,20H,2,6,9-10H2,1H3,(H,17,21).
What are the key properties of N-cyclopropyl-3-(N-formylanilino)-2-hydroxyhexanamide?
N-cyclopropyl-3-(N-formylanilino)-2-hydroxyhexanamide has a molecular weight of 290.36 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(N-formylanilino)-2-hydroxyhexanamide is sourced from PubChem (CID 134349420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).