N-[3-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide

C15H24N2O2 — CID 54927883

IUPACN-[3-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
SMILESCOCc1cccc(NC(=O)CCCNC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-12(2)16-9-5-8-15(18)17-14-7-4-6-13(10-14)11-19-3/h4,6-7,10,12,16H,5,8-9,11H2,1-3H3,(H,17,18)
InChIKeyXLVMKXNNCYYMJJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.55
Rot. Bonds8

About N-[3-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide

N-[3-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide (PubChem CID 54927883) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[3-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[3-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
PubChem CID54927883
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[3-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
SMILESCOCc1cccc(NC(=O)CCCNC(C)C)c1
InChIInChI=1S/C15H24N2O2/c1-12(2)16-9-5-8-15(18)17-14-7-4-6-13(10-14)11-19-3/h4,6-7,10,12,16H,5,8-9,11H2,1-3H3,(H,17,18)
InChIKeyXLVMKXNNCYYMJJ-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'}

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Related Compounds

N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60927722
3-[3-[4-(propan-2-ylamino)butanoylamino]phenyl]propanoic acid
CID 115339859
4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 60850049
2-[3-[4-(propan-2-ylamino)butanoylamino]phenoxy]acetic acid
CID 63771165
ethyl 3-[4-(propan-2-ylamino)butanoylamino]benzoate
CID 61260963
4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide
CID 81075773
N-[2-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
CID 54927933
4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 60928577
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(methoxymethyl)phenyl]butanamide
CID 32638596
N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide
CID 78986765
2-(1-hydroxycyclopentyl)-N-[3-(methoxymethyl)phenyl]acetamide
CID 111430510

Frequently Asked Questions

What is the IUPAC name of N-[3-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[3-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide (CID 54927883) is N-[3-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[3-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[3-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide is COCc1cccc(NC(=O)CCCNC(C)C)c1.
What is the InChIKey of N-[3-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide?
The InChIKey is XLVMKXNNCYYMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)16-9-5-8-15(18)17-14-7-4-6-13(10-14)11-19-3/h4,6-7,10,12,16H,5,8-9,11H2,1-3H3,(H,17,18).
What are the key properties of N-[3-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide?
N-[3-(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-[3-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 54927883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).