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

C15H24N2O2 — CID 54927933

IUPACN-[2-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
SMILESCOCc1ccccc1NC(=O)CCCNC(C)C
InChIInChI=1S/C15H24N2O2/c1-12(2)16-10-6-9-15(18)17-14-8-5-4-7-13(14)11-19-3/h4-5,7-8,12,16H,6,9-11H2,1-3H3,(H,17,18)
InChIKeyWYRQCDVHQCCJOA-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.55
Rot. Bonds8

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

N-[2-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide (PubChem CID 54927933) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[2-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
PubChem CID54927933
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[2-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
SMILESCOCc1ccccc1NC(=O)CCCNC(C)C
InChIInChI=1S/C15H24N2O2/c1-12(2)16-10-6-9-15(18)17-14-8-5-4-7-13(14)11-19-3/h4-5,7-8,12,16H,6,9-11H2,1-3H3,(H,17,18)
InChIKeyWYRQCDVHQCCJOA-UHFFFAOYSA-N
XLogP2.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(hydroxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
CID 60850282
4-amino-N-[2-(methoxymethyl)phenyl]butanamide
CID 43701002
4-(propan-2-ylamino)-N-(2-propoxyphenyl)butanamide
CID 60851317
N-[3-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
CID 54927883
(2R)-2-amino-N-[2-(methoxymethyl)phenyl]propanamide;hydrochloride
CID 119288747
N-[2-(methoxymethyl)phenyl]-2-(methylamino)propanamide
CID 62637466
4-(propan-2-ylamino)-N-(2-propan-2-yloxy-3-pyridinyl)butanamide
CID 61379540
2-amino-N-[2-(methoxymethyl)phenyl]-3-methylbutanamide
CID 43700969
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
5-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid
CID 82847223
(2S)-2-amino-N-[2-[2-(methoxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide
CID 82963336
N-[2-(methoxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604453

Frequently Asked Questions

What is the IUPAC name of N-[2-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[2-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide (CID 54927933) is N-[2-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[2-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[2-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide is COCc1ccccc1NC(=O)CCCNC(C)C.
What is the InChIKey of N-[2-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide?
The InChIKey is WYRQCDVHQCCJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)16-10-6-9-15(18)17-14-8-5-4-7-13(14)11-19-3/h4-5,7-8,12,16H,6,9-11H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide?
N-[2-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide has a molecular weight of 264.37 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 54927933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).