N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide

C16H26N2O2 — CID 119496509

IUPACN-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
SMILESCC(C)COc1ccc(CC(=O)NCCC(C)N)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)11-20-15-6-4-14(5-7-15)10-16(19)18-9-8-13(3)17/h4-7,12-13H,8-11,17H2,1-3H3,(H,18,19)
InChIKeyBUTGNPIMSHZQGI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.12
Rot. Bonds8

About N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide

N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide (PubChem CID 119496509) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
PubChem CID119496509
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
SMILESCC(C)COc1ccc(CC(=O)NCCC(C)N)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)11-20-15-6-4-14(5-7-15)10-16(19)18-9-8-13(3)17/h4-7,12-13H,8-11,17H2,1-3H3,(H,18,19)
InChIKeyBUTGNPIMSHZQGI-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119548271
N-(2-hydroxy-2,3-dimethylbutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 111484329
N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride
CID 119499301
N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119497448
N-(3-aminobutyl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119497823
N-(3-amino-4-methoxybutyl)-2-(4-methoxyphenyl)acetamide
CID 106243082
N-(1-amino-2-methylpropan-2-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 119522663
N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride
CID 119497323
methyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate
CID 22867083
N-(1-amino-2-methylpropan-2-yl)-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119522662
4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 120563845
N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 119498019

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide?
The IUPAC name of N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide (CID 119496509) is N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide.
What is the SMILES notation for N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide?
The canonical SMILES for N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide is CC(C)COc1ccc(CC(=O)NCCC(C)N)cc1.
What is the InChIKey of N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide?
The InChIKey is BUTGNPIMSHZQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)11-20-15-6-4-14(5-7-15)10-16(19)18-9-8-13(3)17/h4-7,12-13H,8-11,17H2,1-3H3,(H,18,19).
What are the key properties of N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide?
N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-[4-(2-methylpropoxy)phenyl]acetamide is sourced from PubChem (CID 119496509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).