4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide

C13H20N2O2 — CID 81075773

IUPAC4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide
SMILESCOCc1cccc(NC(=O)CC(C)CN)c1
InChIInChI=1S/C13H20N2O2/c1-10(8-14)6-13(16)15-12-5-3-4-11(7-12)9-17-2/h3-5,7,10H,6,8-9,14H2,1-2H3,(H,15,16)
InChIKeyDWOZGJYEUIMDOO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.76
Rot. Bonds6

About 4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide

4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide (PubChem CID 81075773) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide
PubChem CID81075773
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide
SMILESCOCc1cccc(NC(=O)CC(C)CN)c1
InChIInChI=1S/C13H20N2O2/c1-10(8-14)6-13(16)15-12-5-3-4-11(7-12)9-17-2/h3-5,7,10H,6,8-9,14H2,1-2H3,(H,15,16)
InChIKeyDWOZGJYEUIMDOO-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(4-amino-3-methylbutanoyl)amino]phenyl]acetic acid
CID 81080665
4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide
CID 81087317
4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
4-amino-3-methyl-N-(3-methylsulfonylphenyl)butanamide
CID 81075894
3-[(4-amino-3-methylbutanoyl)amino]benzoic acid
CID 81087394
3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide
CID 81075273
(3S)-5-[3-(methoxymethyl)anilino]-5-oxo-3-phenylpentanoic acid
CID 100816000
4-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 81075304
5-amino-N-[3-(methoxymethyl)phenyl]-2-methylpentanamide
CID 113440853
N-[3-(methoxymethyl)phenyl]-4-(propan-2-ylamino)butanamide
CID 54927883
2-(1-hydroxycyclopentyl)-N-[3-(methoxymethyl)phenyl]acetamide
CID 111430510
4-amino-N-[3-(cyanomethoxy)phenyl]-3-methylbutanamide
CID 81075432

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide (CID 81075773) is 4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide is COCc1cccc(NC(=O)CC(C)CN)c1.
What is the InChIKey of 4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide?
The InChIKey is DWOZGJYEUIMDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(8-14)6-13(16)15-12-5-3-4-11(7-12)9-17-2/h3-5,7,10H,6,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide?
4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide has a molecular weight of 236.31 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 81075773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).