N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide

C16H26N2O2 — CID 61003389

IUPACN-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide
SMILESCOCc1cccc(CNC(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-12(15(19)18-16(2,3)4)17-10-13-7-6-8-14(9-13)11-20-5/h6-9,12,17H,10-11H2,1-5H3,(H,18,19)
InChIKeyNPTNEDNRYUYQLM-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.23
Rot. Bonds6

About N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide

N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide (PubChem CID 61003389) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide
PubChem CID61003389
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide
SMILESCOCc1cccc(CNC(C)C(=O)NC(C)(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-12(15(19)18-16(2,3)4)17-10-13-7-6-8-14(9-13)11-20-5/h6-9,12,17H,10-11H2,1-5H3,(H,18,19)
InChIKeyNPTNEDNRYUYQLM-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.23
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
N-cyclopropyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 54896696
2-[[3-(methoxymethyl)phenyl]methylamino]-N-pentan-3-ylpropanamide
CID 61003057
N-tert-butyl-2-[(3,4-dibromophenyl)methylamino]propanamide
CID 115693123
4-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylpentan-2-amine
CID 54896409
2-[[3-(methoxymethyl)phenyl]methylamino]-3-methylbutanamide
CID 113243144
(2R)-2-[[3-(methoxymethyl)phenyl]methylamino]propan-1-ol
CID 114986461
N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43087569
1-(2-hydroxy-3,3-dimethylbutyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 111338038
4,4,4-trifluoro-N-[[3-(methoxymethyl)phenyl]methyl]butan-2-amine
CID 103777686
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 107904710
N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide
CID 115579695

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide (CID 61003389) is N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide is COCc1cccc(CNC(C)C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide?
The InChIKey is NPTNEDNRYUYQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(15(19)18-16(2,3)4)17-10-13-7-6-8-14(9-13)11-20-5/h6-9,12,17H,10-11H2,1-5H3,(H,18,19).
What are the key properties of N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide?
N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide is sourced from PubChem (CID 61003389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).