3-amino-2,2-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

C17H27N3O2 — CID 119834747

IUPAC3-amino-2,2-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESCC(C)(CN)C(=O)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C17H27N3O2/c1-17(2,13-18)16(21)19-11-14-5-3-4-6-15(14)12-20-7-9-22-10-8-20/h3-6H,7-13,18H2,1-2H3,(H,19,21)
InChIKeyWJDVDCSWKJWCIY-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.12
Rot. Bonds6

About 3-amino-2,2-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

3-amino-2,2-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (PubChem CID 119834747) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
PubChem CID119834747
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-amino-2,2-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESCC(C)(CN)C(=O)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C17H27N3O2/c1-17(2,13-18)16(21)19-11-14-5-3-4-6-15(14)12-20-7-9-22-10-8-20/h3-6H,7-13,18H2,1-2H3,(H,19,21)
InChIKeyWJDVDCSWKJWCIY-UHFFFAOYSA-N
XLogP1.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]propanamide
CID 31444039
4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481155
1-methoxy-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 47160584
2-chloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 43346970
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
2,2-dimethyl-N-[2-[[N'-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]carbamimidoyl]amino]ethyl]propanamide
CID 111375743
3-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]but-2-enamide
CID 31786572
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 119834774
2-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 60668732
1-tert-butyl-2-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110966603
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 47029367

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (CID 119834747) is 3-amino-2,2-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is CC(C)(CN)C(=O)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of 3-amino-2,2-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is WJDVDCSWKJWCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-17(2,13-18)16(21)19-11-14-5-3-4-6-15(14)12-20-7-9-22-10-8-20/h3-6H,7-13,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-2,2-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
3-amino-2,2-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 305.42 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 119834747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).