2-[[3-(methoxymethyl)phenyl]methylamino]-N-pentan-3-ylpropanamide

C17H28N2O2 — CID 61003057

IUPAC2-[[3-(methoxymethyl)phenyl]methylamino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCc1cccc(COC)c1
InChIInChI=1S/C17H28N2O2/c1-5-16(6-2)19-17(20)13(3)18-11-14-8-7-9-15(10-14)12-21-4/h7-10,13,16,18H,5-6,11-12H2,1-4H3,(H,19,20)
InChIKeyRUQAHLUTOBXPDN-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.62
Rot. Bonds9

About 2-[[3-(methoxymethyl)phenyl]methylamino]-N-pentan-3-ylpropanamide

2-[[3-(methoxymethyl)phenyl]methylamino]-N-pentan-3-ylpropanamide (PubChem CID 61003057) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)phenyl]methylamino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)phenyl]methylamino]-N-pentan-3-ylpropanamide
PubChem CID61003057
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[[3-(methoxymethyl)phenyl]methylamino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)NCc1cccc(COC)c1
InChIInChI=1S/C17H28N2O2/c1-5-16(6-2)19-17(20)13(3)18-11-14-8-7-9-15(10-14)12-21-4/h7-10,13,16,18H,5-6,11-12H2,1-4H3,(H,19,20)
InChIKeyRUQAHLUTOBXPDN-UHFFFAOYSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(methoxymethyl)phenyl]methylamino]-N-propan-2-ylpropanamide
CID 54896649
2-[(3-ethoxyphenyl)methylamino]-N-pentan-3-ylpropanamide
CID 60872987
N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 61003389
N-cyclopropyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 54896696
N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 61003374
2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide
CID 113243144
(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
CID 114986461
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 107904710
tert-butyl N-[1-[[3-(methoxymethyl)phenyl]methylamino]butan-2-yl]carbamate
CID 107250395
2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 55024294
N-[(2R)-1-hydroxybutan-2-yl]-3-(methoxymethyl)benzamide
CID 93033627
2-[(4-nitrophenyl)methylamino]-N-pentan-3-ylpropanamide
CID 60875982

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)phenyl]methylamino]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[[3-(methoxymethyl)phenyl]methylamino]-N-pentan-3-ylpropanamide (CID 61003057) is 2-[[3-(methoxymethyl)phenyl]methylamino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[[3-(methoxymethyl)phenyl]methylamino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[[3-(methoxymethyl)phenyl]methylamino]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)NCc1cccc(COC)c1.
What is the InChIKey of 2-[[3-(methoxymethyl)phenyl]methylamino]-N-pentan-3-ylpropanamide?
The InChIKey is RUQAHLUTOBXPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-16(6-2)19-17(20)13(3)18-11-14-8-7-9-15(10-14)12-21-4/h7-10,13,16,18H,5-6,11-12H2,1-4H3,(H,19,20).
What are the key properties of 2-[[3-(methoxymethyl)phenyl]methylamino]-N-pentan-3-ylpropanamide?
2-[[3-(methoxymethyl)phenyl]methylamino]-N-pentan-3-ylpropanamide has a molecular weight of 292.42 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)phenyl]methylamino]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 61003057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).