N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-nitrophenoxy)propanamide

C19H29N3O5 — CID 78883459

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-nitrophenoxy)propanamide
SMILESCC1CN(C(C)(C)CNC(=O)CCOc2ccc([N+](=O)[O-])cc2)CC(C)O1
InChIInChI=1S/C19H29N3O5/c1-14-11-21(12-15(2)27-14)19(3,4)13-20-18(23)9-10-26-17-7-5-16(6-8-17)22(24)25/h5-8,14-15H,9-13H2,1-4H3,(H,20,23)
InChIKeyRSJDUGOFSYVJEC-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.37
Rot. Bonds8

About N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-nitrophenoxy)propanamide

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-nitrophenoxy)propanamide (PubChem CID 78883459) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-nitrophenoxy)propanamide
PubChem CID78883459
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-nitrophenoxy)propanamide
SMILESCC1CN(C(C)(C)CNC(=O)CCOc2ccc([N+](=O)[O-])cc2)CC(C)O1
InChIInChI=1S/C19H29N3O5/c1-14-11-21(12-15(2)27-14)19(3,4)13-20-18(23)9-10-26-17-7-5-16(6-8-17)22(24)25/h5-8,14-15H,9-13H2,1-4H3,(H,20,23)
InChIKeyRSJDUGOFSYVJEC-UHFFFAOYSA-N
XLogP2.37
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-phenoxyacetamide
CID 29298053
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 24646128
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-2-(2-nitrophenyl)acetamide
CID 24646123
4-amino-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-nitrobenzamide
CID 25442066
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-thiophen-2-ylpropanamide
CID 32716435
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-(furan-2-yl)propanamide
CID 29303064
3-(4-nitrophenoxy)propanoate
CID 6993075
N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide
CID 38741242
2-(cyclopropylmethylamino)-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]acetamide
CID 119839560
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide
CID 29294243
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 47019977
3-(4-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 61092207

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-nitrophenoxy)propanamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-nitrophenoxy)propanamide (CID 78883459) is N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-nitrophenoxy)propanamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-nitrophenoxy)propanamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-nitrophenoxy)propanamide is CC1CN(C(C)(C)CNC(=O)CCOc2ccc([N+](=O)[O-])cc2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-nitrophenoxy)propanamide?
The InChIKey is RSJDUGOFSYVJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-14-11-21(12-15(2)27-14)19(3,4)13-20-18(23)9-10-26-17-7-5-16(6-8-17)22(24)25/h5-8,14-15H,9-13H2,1-4H3,(H,20,23).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-nitrophenoxy)propanamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-nitrophenoxy)propanamide has a molecular weight of 379.46 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 78883459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).