N-(3-aminopropyl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetamide

C17H28N2O2 — CID 57308752

IUPACN-(3-aminopropyl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetamide
SMILESCOc1c(CC(=O)NCCCN)cc(C)cc1C(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-12-9-13(11-15(20)19-8-6-7-18)16(21-5)14(10-12)17(2,3)4/h9-10H,6-8,11,18H2,1-5H3,(H,19,20)
InChIKeyYHTQUOOKIHAMAX-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.31
Rot. Bonds6

About N-(3-aminopropyl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetamide

N-(3-aminopropyl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetamide (PubChem CID 57308752) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetamide
PubChem CID57308752
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(3-aminopropyl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetamide
SMILESCOc1c(CC(=O)NCCCN)cc(C)cc1C(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-12-9-13(11-15(20)19-8-6-7-18)16(21-5)14(10-12)17(2,3)4/h9-10H,6-8,11,18H2,1-5H3,(H,19,20)
InChIKeyYHTQUOOKIHAMAX-UHFFFAOYSA-N
XLogP2.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-tert-butyl-2-methoxy-5-methylphenyl)butan-1-amine
CID 95460977
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-N-methylethanamine
CID 95452310
N-(2-aminoethyl)-3-(3,5-ditert-butyl-4-methoxyphenyl)propanamide
CID 22104700
1-(4-acetylpiperazin-1-yl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)ethanone
CID 110769579
1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methylamino]propan-2-ol
CID 112513655
3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110763107
N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
CID 110832932
4-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]butan-1-amine
CID 117396648
N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine
CID 96678019
4-[2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetyl]piperazine-1-carbaldehyde
CID 110769578
2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide
CID 119404836
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)acetohydrazide
CID 87214855

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of N-(3-aminopropyl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetamide (CID 57308752) is N-(3-aminopropyl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetamide is COc1c(CC(=O)NCCCN)cc(C)cc1C(C)(C)C.
What is the InChIKey of N-(3-aminopropyl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetamide?
The InChIKey is YHTQUOOKIHAMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12-9-13(11-15(20)19-8-6-7-18)16(21-5)14(10-12)17(2,3)4/h9-10H,6-8,11,18H2,1-5H3,(H,19,20).
What are the key properties of N-(3-aminopropyl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetamide?
N-(3-aminopropyl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetamide has a molecular weight of 292.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 57308752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).