2-[1-(aminomethyl)cyclobutyl]-N-(4-methyl-2-propoxyphenyl)acetamide

C17H26N2O2 — CID 81173247

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-(4-methyl-2-propoxyphenyl)acetamide
SMILESCCCOc1cc(C)ccc1NC(=O)CC1(CN)CCC1
InChIInChI=1S/C17H26N2O2/c1-3-9-21-15-10-13(2)5-6-14(15)19-16(20)11-17(12-18)7-4-8-17/h5-6,10H,3-4,7-9,11-12,18H2,1-2H3,(H,19,20)
InChIKeyDNOKBTLENCYLIS-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.24
Rot. Bonds7

About 2-[1-(aminomethyl)cyclobutyl]-N-(4-methyl-2-propoxyphenyl)acetamide

2-[1-(aminomethyl)cyclobutyl]-N-(4-methyl-2-propoxyphenyl)acetamide (PubChem CID 81173247) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-(4-methyl-2-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-(4-methyl-2-propoxyphenyl)acetamide
PubChem CID81173247
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-(4-methyl-2-propoxyphenyl)acetamide
SMILESCCCOc1cc(C)ccc1NC(=O)CC1(CN)CCC1
InChIInChI=1S/C17H26N2O2/c1-3-9-21-15-10-13(2)5-6-14(15)19-16(20)11-17(12-18)7-4-8-17/h5-6,10H,3-4,7-9,11-12,18H2,1-2H3,(H,19,20)
InChIKeyDNOKBTLENCYLIS-UHFFFAOYSA-N
XLogP3.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide
CID 81173162
2-[1-(aminomethyl)cyclobutyl]-N-(2-propoxyphenyl)acetamide
CID 81179040
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
2-[1-(aminomethyl)cyclobutyl]-N-(4-ethoxy-2-methylphenyl)acetamide
CID 81172405
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328
2-(tert-butylamino)-N-(4-methyl-2-propoxyphenyl)acetamide
CID 78923766
6-(4-methyl-2-propoxyanilino)-6-oxohexanoic acid
CID 60934555
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
4-amino-N-(4-methyl-2-propoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79210955
2-[1-(aminomethyl)cyclobutyl]-N-(2-propan-2-yloxyphenyl)acetamide
CID 81179451
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233
N-(4-methyl-2-propoxyphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 51085636

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(4-methyl-2-propoxyphenyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-(4-methyl-2-propoxyphenyl)acetamide (CID 81173247) is 2-[1-(aminomethyl)cyclobutyl]-N-(4-methyl-2-propoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-(4-methyl-2-propoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-(4-methyl-2-propoxyphenyl)acetamide is CCCOc1cc(C)ccc1NC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-(4-methyl-2-propoxyphenyl)acetamide?
The InChIKey is DNOKBTLENCYLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-9-21-15-10-13(2)5-6-14(15)19-16(20)11-17(12-18)7-4-8-17/h5-6,10H,3-4,7-9,11-12,18H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-(4-methyl-2-propoxyphenyl)acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-(4-methyl-2-propoxyphenyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-(4-methyl-2-propoxyphenyl)acetamide is sourced from PubChem (CID 81173247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).