N,N-dimethyl-2-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide

C17H28N2O2 — CID 43573860

IUPACN,N-dimethyl-2-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide
SMILESCC(C)CCOc1ccc(CNC(C)C(=O)N(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-13(2)10-11-21-16-8-6-15(7-9-16)12-18-14(3)17(20)19(4)5/h6-9,13-14,18H,10-12H2,1-5H3
InChIKeySXGRXQQRDOVYOM-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.68
Rot. Bonds8

About N,N-dimethyl-2-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide

N,N-dimethyl-2-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide (PubChem CID 43573860) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide
PubChem CID43573860
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN,N-dimethyl-2-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide
SMILESCC(C)CCOc1ccc(CNC(C)C(=O)N(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-13(2)10-11-21-16-8-6-15(7-9-16)12-18-14(3)17(20)19(4)5/h6-9,13-14,18H,10-12H2,1-5H3
InChIKeySXGRXQQRDOVYOM-UHFFFAOYSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

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Related Compounds

N,N-dimethyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 43573853
N,N-dimethyl-2-[(4-prop-2-enoxyphenyl)methylamino]propanamide
CID 43573850
N,N-dimethyl-3-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide
CID 60926493
2-[(4-cyclopropylphenyl)methylamino]-N,N-dimethylpropanamide
CID 79979065
2-methyl-N-[[4-(3-methylbutoxy)phenyl]methyl]pentan-3-amine
CID 63455307
2-[4-(3-methylbutoxy)phenyl]acetate
CID 6947053
1-[4-(3-methylbutoxy)phenyl]-N-[(4-methylphenyl)methyl]ethanamine
CID 54804064
N-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 115588909
methyl (2S)-2-[(4-pentoxyphenyl)methylamino]propanoate
CID 43723511
(2R)-2-[(4-pentoxyphenyl)methylamino]propanamide
CID 93037212
N,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 43778128
4-(3-methylbutoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911086

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide?
The IUPAC name of N,N-dimethyl-2-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide (CID 43573860) is N,N-dimethyl-2-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide is CC(C)CCOc1ccc(CNC(C)C(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide?
The InChIKey is SXGRXQQRDOVYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)10-11-21-16-8-6-15(7-9-16)12-18-14(3)17(20)19(4)5/h6-9,13-14,18H,10-12H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide?
N,N-dimethyl-2-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide has a molecular weight of 292.42 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide is sourced from PubChem (CID 43573860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).