N,N-dimethyl-3-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide

C17H28N2O2 — CID 60926493

IUPACN,N-dimethyl-3-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide
SMILESCC(C)CCOc1ccc(CNCCC(=O)N(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-14(2)10-12-21-16-7-5-15(6-8-16)13-18-11-9-17(20)19(3)4/h5-8,14,18H,9-13H2,1-4H3
InChIKeyGKVQNLTYJKQCNZ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.68
Rot. Bonds9

About N,N-dimethyl-3-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide

N,N-dimethyl-3-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide (PubChem CID 60926493) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N,N-dimethyl-3-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide
PubChem CID60926493
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN,N-dimethyl-3-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide
SMILESCC(C)CCOc1ccc(CNCCC(=O)N(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-14(2)10-12-21-16-7-5-15(6-8-16)13-18-11-9-17(20)19(3)4/h5-8,14,18H,9-13H2,1-4H3
InChIKeyGKVQNLTYJKQCNZ-UHFFFAOYSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 54935244
N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63063229
N,N-dimethyl-2-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide
CID 43573860
N,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 60926600
N'-[[4-(3-methylbutoxy)phenyl]methyl]propane-1,3-diamine
CID 60888382
2-methyl-5-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-1-ol
CID 103859561
N-[2-[[4-(3-methylbutoxy)phenyl]methylamino]ethyl]methanesulfonamide
CID 29270866
2-[4-[(3-methylbutylamino)methyl]phenoxy]ethanol
CID 17210721
3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide
CID 60926375
N-[[4-(3-methylbutoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine
CID 115764090
2-cyclopentyl-N-[[4-(3-methylbutoxy)phenyl]methyl]ethanamine
CID 63450563
2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 63063741

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide?
The IUPAC name of N,N-dimethyl-3-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide (CID 60926493) is N,N-dimethyl-3-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide is CC(C)CCOc1ccc(CNCCC(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-3-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide?
The InChIKey is GKVQNLTYJKQCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14(2)10-12-21-16-7-5-15(6-8-16)13-18-11-9-17(20)19(3)4/h5-8,14,18H,9-13H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide?
N,N-dimethyl-3-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide has a molecular weight of 292.42 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide is sourced from PubChem (CID 60926493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).