4-[(2-amino-2-ethylbutoxy)methyl]benzamide

C14H22N2O2 — CID 64571445

IUPAC4-[(2-amino-2-ethylbutoxy)methyl]benzamide
SMILESCCC(N)(CC)COCc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H22N2O2/c1-3-14(16,4-2)10-18-9-11-5-7-12(8-6-11)13(15)17/h5-8H,3-4,9-10,16H2,1-2H3,(H2,15,17)
InChIKeySQWYCZOGIUPOIZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.82
Rot. Bonds7

About 4-[(2-amino-2-ethylbutoxy)methyl]benzamide

4-[(2-amino-2-ethylbutoxy)methyl]benzamide (PubChem CID 64571445) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[(2-amino-2-ethylbutoxy)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-amino-2-ethylbutoxy)methyl]benzamide
PubChem CID64571445
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-[(2-amino-2-ethylbutoxy)methyl]benzamide
SMILESCCC(N)(CC)COCc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H22N2O2/c1-3-14(16,4-2)10-18-9-11-5-7-12(8-6-11)13(15)17/h5-8H,3-4,9-10,16H2,1-2H3,(H2,15,17)
InChIKeySQWYCZOGIUPOIZ-UHFFFAOYSA-N
XLogP1.82
TPSA78.34 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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 91641393
ethyl 4-[(2-amino-2-methylpropoxy)methyl]benzoate
CID 82353221
1-[4-[[2-amino-2-(hydroxymethyl)butoxy]methyl]phenyl]-4-(3,4-dimethylphenyl)butan-1-one
CID 11485908
3-[(3-bromo-4-fluorophenyl)methoxymethyl]pentan-3-amine
CID 64572927
(4-tert-butylphenyl)methyl 4-carbamoylbenzoate
CID 30799344
2-amino-2-(phenylmethoxymethyl)propane-1,3-diol
CID 720755
4-[(3-ethylpentan-3-ylamino)methyl]benzamide
CID 65039687
4-[(4-propoxyphenoxy)methyl]benzamide
CID 24605968
4-(4-ethylphenyl)benzamide
CID 53425878
4-[2-(4-carbamoylphenyl)ethyl]benzamide
CID 14507735
4-[3-(propan-2-ylamino)propoxymethyl]benzamide
CID 62343389
N-(4-carbamoylphenyl)sulfonyl-4-(methoxymethyl)benzamide
CID 56795776

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-ethylbutoxy)methyl]benzamide?
The IUPAC name of 4-[(2-amino-2-ethylbutoxy)methyl]benzamide (CID 64571445) is 4-[(2-amino-2-ethylbutoxy)methyl]benzamide.
What is the SMILES notation for 4-[(2-amino-2-ethylbutoxy)methyl]benzamide?
The canonical SMILES for 4-[(2-amino-2-ethylbutoxy)methyl]benzamide is CCC(N)(CC)COCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(2-amino-2-ethylbutoxy)methyl]benzamide?
The InChIKey is SQWYCZOGIUPOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-14(16,4-2)10-18-9-11-5-7-12(8-6-11)13(15)17/h5-8H,3-4,9-10,16H2,1-2H3,(H2,15,17).
What are the key properties of 4-[(2-amino-2-ethylbutoxy)methyl]benzamide?
4-[(2-amino-2-ethylbutoxy)methyl]benzamide has a molecular weight of 250.34 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-ethylbutoxy)methyl]benzamide is sourced from PubChem (CID 64571445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).