N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)-formylamino]-2-hydroxybutanamide

C15H24F2N2O3 — CID 134349634

IUPACN-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)-formylamino]-2-hydroxybutanamide
SMILESCC(C(O)C(=O)NCC1CC1)N(C=O)C1CCC(F)(F)CC1
InChIInChI=1S/C15H24F2N2O3/c1-10(13(21)14(22)18-8-11-2-3-11)19(9-20)12-4-6-15(16,17)7-5-12/h9-13,21H,2-8H2,1H3,(H,18,22)
InChIKeyVCOJPPNCKVBAKC-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.30
Rot. Bonds7

About N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)-formylamino]-2-hydroxybutanamide

N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)-formylamino]-2-hydroxybutanamide (PubChem CID 134349634) has the molecular formula C15H24F2N2O3 and a molecular weight of 318.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)-formylamino]-2-hydroxybutanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)-formylamino]-2-hydroxybutanamide
PubChem CID134349634
Molecular FormulaC15H24F2N2O3
Molecular Weight318.36 g/mol
Exact Mass318.18
IUPAC NameN-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)-formylamino]-2-hydroxybutanamide
SMILESCC(C(O)C(=O)NCC1CC1)N(C=O)C1CCC(F)(F)CC1
InChIInChI=1S/C15H24F2N2O3/c1-10(13(21)14(22)18-8-11-2-3-11)19(9-20)12-4-6-15(16,17)7-5-12/h9-13,21H,2-8H2,1H3,(H,18,22)
InChIKeyVCOJPPNCKVBAKC-UHFFFAOYSA-N
XLogP1.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.30
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-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)-formylamino]-2-hydroxybutanamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)-formylamino]-2-hydroxybutanamide (CID 134349634) is N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)-formylamino]-2-hydroxybutanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)-formylamino]-2-hydroxybutanamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)-formylamino]-2-hydroxybutanamide is CC(C(O)C(=O)NCC1CC1)N(C=O)C1CCC(F)(F)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)-formylamino]-2-hydroxybutanamide?
The InChIKey is VCOJPPNCKVBAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O3/c1-10(13(21)14(22)18-8-11-2-3-11)19(9-20)12-4-6-15(16,17)7-5-12/h9-13,21H,2-8H2,1H3,(H,18,22).
What are the key properties of N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)-formylamino]-2-hydroxybutanamide?
N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)-formylamino]-2-hydroxybutanamide has a molecular weight of 318.36 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)-formylamino]-2-hydroxybutanamide is sourced from PubChem (CID 134349634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).