N-[3-[(3-methoxy-3-methylbutyl)amino]phenyl]-2-methylpropanamide

C16H26N2O2 — CID 102975691

IUPACN-[3-[(3-methoxy-3-methylbutyl)amino]phenyl]-2-methylpropanamide
SMILESCOC(C)(C)CCNc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-12(2)15(19)18-14-8-6-7-13(11-14)17-10-9-16(3,4)20-5/h6-8,11-12,17H,9-10H2,1-5H3,(H,18,19)
InChIKeyQOZZYCRSPDQQPJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.51
Rot. Bonds7

About N-[3-[(3-methoxy-3-methylbutyl)amino]phenyl]-2-methylpropanamide

N-[3-[(3-methoxy-3-methylbutyl)amino]phenyl]-2-methylpropanamide (PubChem CID 102975691) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[3-[(3-methoxy-3-methylbutyl)amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[(3-methoxy-3-methylbutyl)amino]phenyl]-2-methylpropanamide
PubChem CID102975691
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[3-[(3-methoxy-3-methylbutyl)amino]phenyl]-2-methylpropanamide
SMILESCOC(C)(C)CCNc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-12(2)15(19)18-14-8-6-7-13(11-14)17-10-9-16(3,4)20-5/h6-8,11-12,17H,9-10H2,1-5H3,(H,18,19)
InChIKeyQOZZYCRSPDQQPJ-UHFFFAOYSA-N
XLogP3.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-(3-methylbutylamino)phenyl]propanamide
CID 43725728
3-[(3-methoxy-3-methylbutyl)amino]benzoic acid
CID 106675116
3,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 39130919
tert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate
CID 107244699
N-[3-(tert-butylcarbamoylamino)phenyl]-2-methylpropanamide
CID 78894521
methyl 4-[3-(2-methylpropanoylamino)anilino]-4-oxobutanoate
CID 17189183
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
N-[3-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189278
N-[3-[[2-(diethylamino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831682
N-[3-[[2-(3-chloroanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54809062
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54831626

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methoxy-3-methylbutyl)amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[(3-methoxy-3-methylbutyl)amino]phenyl]-2-methylpropanamide (CID 102975691) is N-[3-[(3-methoxy-3-methylbutyl)amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[(3-methoxy-3-methylbutyl)amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[(3-methoxy-3-methylbutyl)amino]phenyl]-2-methylpropanamide is COC(C)(C)CCNc1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of N-[3-[(3-methoxy-3-methylbutyl)amino]phenyl]-2-methylpropanamide?
The InChIKey is QOZZYCRSPDQQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)15(19)18-14-8-6-7-13(11-14)17-10-9-16(3,4)20-5/h6-8,11-12,17H,9-10H2,1-5H3,(H,18,19).
What are the key properties of N-[3-[(3-methoxy-3-methylbutyl)amino]phenyl]-2-methylpropanamide?
N-[3-[(3-methoxy-3-methylbutyl)amino]phenyl]-2-methylpropanamide has a molecular weight of 278.40 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methoxy-3-methylbutyl)amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 102975691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).