N-[2-(hydroxymethyl)phenyl]-4-(propan-2-ylamino)butanamide

C14H22N2O2 — CID 60850282

IUPACN-[2-(hydroxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)Nc1ccccc1CO
InChIInChI=1S/C14H22N2O2/c1-11(2)15-9-5-8-14(18)16-13-7-4-3-6-12(13)10-17/h3-4,6-7,11,15,17H,5,8-10H2,1-2H3,(H,16,18)
InChIKeyBGTQTCUECXWQJR-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.90
Rot. Bonds7

About N-[2-(hydroxymethyl)phenyl]-4-(propan-2-ylamino)butanamide

N-[2-(hydroxymethyl)phenyl]-4-(propan-2-ylamino)butanamide (PubChem CID 60850282) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)phenyl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
PubChem CID60850282
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-(hydroxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
SMILESCC(C)NCCCC(=O)Nc1ccccc1CO
InChIInChI=1S/C14H22N2O2/c1-11(2)15-9-5-8-14(18)16-13-7-4-3-6-12(13)10-17/h3-4,6-7,11,15,17H,5,8-10H2,1-2H3,(H,16,18)
InChIKeyBGTQTCUECXWQJR-UHFFFAOYSA-N
XLogP1.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.90
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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Related Compounds

N-[2-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
CID 54927933
4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide
CID 60851317
N-(2-imidazol-1-ylphenyl)-4-(propan-2-ylamino)butanamide
CID 60849200
N-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide
CID 62369293
2-chloro-N-[2-(hydroxymethyl)phenyl]propanamide
CID 43700276
4-(propan-2-ylamino)-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 61379540
4-(methylamino)-N-(2-propan-2-ylphenyl)butanamide
CID 54924530
N-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60851811
N-[2-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 60653327
N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850102
3-(4-ethylphenyl)-N-[2-(hydroxymethyl)phenyl]propanamide
CID 61497838
4-amino-N-[2-(propan-2-ylcarbamoylamino)phenyl]butanamide
CID 119293073

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)phenyl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[2-(hydroxymethyl)phenyl]-4-(propan-2-ylamino)butanamide (CID 60850282) is N-[2-(hydroxymethyl)phenyl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[2-(hydroxymethyl)phenyl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[2-(hydroxymethyl)phenyl]-4-(propan-2-ylamino)butanamide is CC(C)NCCCC(=O)Nc1ccccc1CO.
What is the InChIKey of N-[2-(hydroxymethyl)phenyl]-4-(propan-2-ylamino)butanamide?
The InChIKey is BGTQTCUECXWQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)15-9-5-8-14(18)16-13-7-4-3-6-12(13)10-17/h3-4,6-7,11,15,17H,5,8-10H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(hydroxymethyl)phenyl]-4-(propan-2-ylamino)butanamide?
N-[2-(hydroxymethyl)phenyl]-4-(propan-2-ylamino)butanamide has a molecular weight of 250.34 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)phenyl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60850282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).