N-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide

C15H24N2O2 — CID 54873535

IUPACN-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C15H24N2O2/c1-12(2)16-10-4-5-15(19)17(3)11-13-6-8-14(18)9-7-13/h6-9,12,16,18H,4-5,10-11H2,1-3H3
InChIKeyGNIVVAPAOXZGTC-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.13
Rot. Bonds7

About N-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide

N-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide (PubChem CID 54873535) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide
PubChem CID54873535
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)N(C)Cc1ccc(O)cc1
InChIInChI=1S/C15H24N2O2/c1-12(2)16-10-4-5-15(19)17(3)11-13-6-8-14(18)9-7-13/h6-9,12,16,18H,4-5,10-11H2,1-3H3
InChIKeyGNIVVAPAOXZGTC-UHFFFAOYSA-N
XLogP2.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54873511
N-benzyl-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850765
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60936666
N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide
CID 54874164
N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936975
N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 61259107
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936656
N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 62334150
3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide
CID 60963572
N-benzyl-N-methyl-4-(methylamino)butanamide
CID 60842037
N-[(4-hydroxyphenyl)methyl]-N,3,4,4-tetramethylpentanamide
CID 63821456
N-methyl-N-pentyl-4-(propan-2-ylamino)butanamide
CID 60850238

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide (CID 54873535) is N-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)N(C)Cc1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide?
The InChIKey is GNIVVAPAOXZGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)16-10-4-5-15(19)17(3)11-13-6-8-14(18)9-7-13/h6-9,12,16,18H,4-5,10-11H2,1-3H3.
What are the key properties of N-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide?
N-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide has a molecular weight of 264.37 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 54873535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).