N-[2-[(1-methoxybutan-2-ylamino)methyl]phenyl]acetamide

C14H22N2O2 — CID 66419443

IUPACN-[2-[(1-methoxybutan-2-ylamino)methyl]phenyl]acetamide
SMILESCCC(COC)NCc1ccccc1NC(C)=O
InChIInChI=1S/C14H22N2O2/c1-4-13(10-18-3)15-9-12-7-5-6-8-14(12)16-11(2)17/h5-8,13,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyLGCCCRXLVQZFRZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.16
Rot. Bonds7

About N-[2-[(1-methoxybutan-2-ylamino)methyl]phenyl]acetamide

N-[2-[(1-methoxybutan-2-ylamino)methyl]phenyl]acetamide (PubChem CID 66419443) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-[(1-methoxybutan-2-ylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-methoxybutan-2-ylamino)methyl]phenyl]acetamide
PubChem CID66419443
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-[(1-methoxybutan-2-ylamino)methyl]phenyl]acetamide
SMILESCCC(COC)NCc1ccccc1NC(C)=O
InChIInChI=1S/C14H22N2O2/c1-4-13(10-18-3)15-9-12-7-5-6-8-14(12)16-11(2)17/h5-8,13,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyLGCCCRXLVQZFRZ-UHFFFAOYSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(1-cyclopropylbutan-2-ylamino)methyl]phenyl]acetamide
CID 66418081
N-[2-[(2-methylpropoxyamino)methyl]phenyl]acetamide
CID 82710042
(2S)-N-benzyl-1-methoxybutan-2-amine
CID 95366266
2-chloro-6-[(1-methoxybutan-2-ylamino)methyl]phenol
CID 112554908
2-[(2-acetamidophenyl)methylamino]-3-methylbutanoic acid
CID 66419829
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
N-[2-[(1-cyclohexylpropylamino)methyl]phenyl]acetamide
CID 66419635
N-[(3-ethyl-2-pyridinyl)methyl]-1-methoxybutan-2-amine
CID 82732422
N-[2-[(2,2-diethoxyethylamino)methyl]phenyl]acetamide
CID 79548465
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid
CID 81088004
N-[2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]phenyl]acetamide
CID 106282108

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-methoxybutan-2-ylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(1-methoxybutan-2-ylamino)methyl]phenyl]acetamide (CID 66419443) is N-[2-[(1-methoxybutan-2-ylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(1-methoxybutan-2-ylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(1-methoxybutan-2-ylamino)methyl]phenyl]acetamide is CCC(COC)NCc1ccccc1NC(C)=O.
What is the InChIKey of N-[2-[(1-methoxybutan-2-ylamino)methyl]phenyl]acetamide?
The InChIKey is LGCCCRXLVQZFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-13(10-18-3)15-9-12-7-5-6-8-14(12)16-11(2)17/h5-8,13,15H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of N-[2-[(1-methoxybutan-2-ylamino)methyl]phenyl]acetamide?
N-[2-[(1-methoxybutan-2-ylamino)methyl]phenyl]acetamide has a molecular weight of 250.34 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-methoxybutan-2-ylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 66419443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).