N-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide

C16H26N2O2 — CID 119522177

IUPACN-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(OCCC(=O)NC(C)(C)CN)c1
InChIInChI=1S/C16H26N2O2/c1-11-8-12(2)13(3)14(9-11)20-7-6-15(19)18-16(4,5)10-17/h8-9H,6-7,10,17H2,1-5H3,(H,18,19)
InChIKeyNEGHMEWBKVEDSS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.23
Rot. Bonds6

About N-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide

N-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 119522177) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide
PubChem CID119522177
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(OCCC(=O)NC(C)(C)CN)c1
InChIInChI=1S/C16H26N2O2/c1-11-8-12(2)13(3)14(9-11)20-7-6-15(19)18-16(4,5)10-17/h8-9H,6-7,10,17H2,1-5H3,(H,18,19)
InChIKeyNEGHMEWBKVEDSS-UHFFFAOYSA-N
XLogP2.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3,5-trimethylphenoxy)propanehydrazide
CID 63575558
N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide
CID 110834140
N-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119405735
N-(1-amino-2-methylpropan-2-yl)-3-(2-bromophenoxy)propanamide
CID 119521510
4-[[3-(2,3,5-trimethylphenoxy)propanoylamino]methyl]oxane-4-carboxamide
CID 56783010
N-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide
CID 111539630
1-amino-2-methyl-3-(2,3,5-trimethylphenoxy)propan-2-ol
CID 64812758
2-[2-[3-(2,3,5-trimethylphenoxy)propanoylamino]phenyl]acetic acid
CID 119218425
N-(1-amino-2-methylpropan-2-yl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119522413
N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide
CID 119522531
N-tert-butyl-4-(2,3,5-trimethylphenoxy)butan-1-amine;oxalic acid
CID 2865538
N-(2-aminoethyl)-2-[3-(2,3,5-trimethylphenoxy)propanoylamino]benzamide;hydrochloride
CID 120603313

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide (CID 119522177) is N-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide is Cc1cc(C)c(C)c(OCCC(=O)NC(C)(C)CN)c1.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is NEGHMEWBKVEDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-8-12(2)13(3)14(9-11)20-7-6-15(19)18-16(4,5)10-17/h8-9H,6-7,10,17H2,1-5H3,(H,18,19).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide?
N-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 119522177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).