N-(2-aminopropyl)-3-(3-tert-butyl-2-methoxyphenyl)propanamide

C17H28N2O2 — CID 67640035

IUPACN-(2-aminopropyl)-3-(3-tert-butyl-2-methoxyphenyl)propanamide
SMILESCOc1c(CCC(=O)NCC(C)N)cccc1C(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-12(18)11-19-15(20)10-9-13-7-6-8-14(16(13)21-5)17(2,3)4/h6-8,12H,9-11,18H2,1-5H3,(H,19,20)
InChIKeyIUBKCSHIXZXNCO-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.39
Rot. Bonds6

About N-(2-aminopropyl)-3-(3-tert-butyl-2-methoxyphenyl)propanamide

N-(2-aminopropyl)-3-(3-tert-butyl-2-methoxyphenyl)propanamide (PubChem CID 67640035) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(2-aminopropyl)-3-(3-tert-butyl-2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-3-(3-tert-butyl-2-methoxyphenyl)propanamide
PubChem CID67640035
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(2-aminopropyl)-3-(3-tert-butyl-2-methoxyphenyl)propanamide
SMILESCOc1c(CCC(=O)NCC(C)N)cccc1C(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-12(18)11-19-15(20)10-9-13-7-6-8-14(16(13)21-5)17(2,3)4/h6-8,12H,9-11,18H2,1-5H3,(H,19,20)
InChIKeyIUBKCSHIXZXNCO-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-tert-butyl-2-methoxyphenyl)acetic acid
CID 21199434
3-(7-methoxynaphthalen-1-yl)-N-(2-methylpropyl)propanamide
CID 19696840
N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,3-dimethoxyphenyl)propanamide
CID 18118508
N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 119997065
1-(3-tert-butyl-2-methoxyphenyl)-N-methylmethanamine
CID 57135698
N-(2-aminopropyl)-2-(2-methoxyphenoxy)acetamide
CID 82354186
N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide
CID 82354195
3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483500
N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119630582
2-(3-ethyl-2-methoxyphenyl)propan-2-amine
CID 117284071
N-[(2R)-2-(ethylamino)propyl]-3-(2-methoxyphenyl)propanamide
CID 120652535
3-(3-tert-butyl-2-hydroxyphenyl)-N-(4-hydroxybutyl)propanamide
CID 21199692

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-3-(3-tert-butyl-2-methoxyphenyl)propanamide?
The IUPAC name of N-(2-aminopropyl)-3-(3-tert-butyl-2-methoxyphenyl)propanamide (CID 67640035) is N-(2-aminopropyl)-3-(3-tert-butyl-2-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2-aminopropyl)-3-(3-tert-butyl-2-methoxyphenyl)propanamide?
The canonical SMILES for N-(2-aminopropyl)-3-(3-tert-butyl-2-methoxyphenyl)propanamide is COc1c(CCC(=O)NCC(C)N)cccc1C(C)(C)C.
What is the InChIKey of N-(2-aminopropyl)-3-(3-tert-butyl-2-methoxyphenyl)propanamide?
The InChIKey is IUBKCSHIXZXNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(18)11-19-15(20)10-9-13-7-6-8-14(16(13)21-5)17(2,3)4/h6-8,12H,9-11,18H2,1-5H3,(H,19,20).
What are the key properties of N-(2-aminopropyl)-3-(3-tert-butyl-2-methoxyphenyl)propanamide?
N-(2-aminopropyl)-3-(3-tert-butyl-2-methoxyphenyl)propanamide has a molecular weight of 292.42 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-3-(3-tert-butyl-2-methoxyphenyl)propanamide is sourced from PubChem (CID 67640035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).