N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-4-hydroxybenzohydrazide

C17H25N3O4 — CID 10449616

IUPACN-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-4-hydroxybenzohydrazide
SMILESN[C@H](CC1CCCCC1)C(O)C(=O)N(N)C(=O)c1ccc(O)cc1
InChIInChI=1S/C17H25N3O4/c18-14(10-11-4-2-1-3-5-11)15(22)17(24)20(19)16(23)12-6-8-13(21)9-7-12/h6-9,11,14-15,21-22H,1-5,10,18-19H2/t14-,15?/m1/s1
InChIKeyHBWZULRUWLOILM-GICMACPYSA-N
MW335.40 g/mol
LogP0.89
Rot. Bonds5

About N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-4-hydroxybenzohydrazide

N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-4-hydroxybenzohydrazide (PubChem CID 10449616) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-4-hydroxybenzohydrazide.

Molecular Properties

Compound NameN-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-4-hydroxybenzohydrazide
PubChem CID10449616
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC NameN-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-4-hydroxybenzohydrazide
SMILESN[C@H](CC1CCCCC1)C(O)C(=O)N(N)C(=O)c1ccc(O)cc1
InChIInChI=1S/C17H25N3O4/c18-14(10-11-4-2-1-3-5-11)15(22)17(24)20(19)16(23)12-6-8-13(21)9-7-12/h6-9,11,14-15,21-22H,1-5,10,18-19H2/t14-,15?/m1/s1
InChIKeyHBWZULRUWLOILM-GICMACPYSA-N
XLogP0.89
TPSA129.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-2,4-dichlorobenzohydrazide
CID 10362812
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(4-methylphenyl)butanehydrazide
CID 11779868
(3R)-3-amino-4-cyclohexyl-N-(2,4-difluorophenyl)-2-hydroxybutanehydrazide
CID 10359067
(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 10987299
N-(cyclohexylmethyl)-4-hydroxy-N-methylbenzamide
CID 54948596
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N,N-bis(methoxymethyl)butanamide
CID 70065085
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
2-amino-3-cyclohexylpropanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 175252899
(3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide
CID 54413400
N-(3-aminopropyl)-N-cycloheptyl-4-hydroxybenzamide
CID 43136887
2-cyclohexyl-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-hydroxyphenyl)methyl]acetamide
CID 136534363
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-4-hydroxybenzohydrazide?
The IUPAC name of N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-4-hydroxybenzohydrazide (CID 10449616) is N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-4-hydroxybenzohydrazide.
What is the SMILES notation for N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-4-hydroxybenzohydrazide?
The canonical SMILES for N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-4-hydroxybenzohydrazide is N[C@H](CC1CCCCC1)C(O)C(=O)N(N)C(=O)c1ccc(O)cc1.
What is the InChIKey of N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-4-hydroxybenzohydrazide?
The InChIKey is HBWZULRUWLOILM-GICMACPYSA-N. The full InChI is InChI=1S/C17H25N3O4/c18-14(10-11-4-2-1-3-5-11)15(22)17(24)20(19)16(23)12-6-8-13(21)9-7-12/h6-9,11,14-15,21-22H,1-5,10,18-19H2/t14-,15?/m1/s1.
What are the key properties of N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-4-hydroxybenzohydrazide?
N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-4-hydroxybenzohydrazide has a molecular weight of 335.40 g/mol, XLogP of 0.89, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-4-hydroxybenzohydrazide is sourced from PubChem (CID 10449616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).