N,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide

C15H24N2O2 — CID 54935244

IUPACN,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide
SMILESCC(C)Oc1ccc(CNCCC(=O)N(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-12(2)19-14-7-5-13(6-8-14)11-16-10-9-15(18)17(3)4/h5-8,12,16H,9-11H2,1-4H3
InChIKeyKUUQZRXWBGXAPE-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.04
Rot. Bonds7

About N,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide

N,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide (PubChem CID 54935244) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide
PubChem CID54935244
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide
SMILESCC(C)Oc1ccc(CNCCC(=O)N(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-12(2)19-14-7-5-13(6-8-14)11-16-10-9-15(18)17(3)4/h5-8,12,16H,9-11H2,1-4H3
InChIKeyKUUQZRXWBGXAPE-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.04
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-(3-methylbutoxy)phenyl]methylamino]propanamide
CID 60926493
N,N-dimethyl-3-[[4-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 60926600
3-[(4-fluorophenyl)methylamino]-N,N-dimethylpropanamide
CID 60926375
N-butan-2-yl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 60956727
N-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]acetamide
CID 43770338
2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 43754691
4-[2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]phenol
CID 61236557
2-methylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 54932029
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol
CID 115581451
N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]phenoxy]butanamide
CID 63063229
3-methylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 54904729
N-[(4-propan-2-yloxyphenyl)methyl]-N',N'-dipropylethane-1,2-diamine
CID 54809733

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide?
The IUPAC name of N,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide (CID 54935244) is N,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide is CC(C)Oc1ccc(CNCCC(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide?
The InChIKey is KUUQZRXWBGXAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)19-14-7-5-13(6-8-14)11-16-10-9-15(18)17(3)4/h5-8,12,16H,9-11H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide?
N,N-dimethyl-3-[(4-propan-2-yloxyphenyl)methylamino]propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.04, 7 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-propan-2-yloxyphenyl)methylamino]propanamide is sourced from PubChem (CID 54935244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).