3-[formyl-[3-methyl-5-[(1-oxopropan-2-ylamino)phosphanyloxymethyl]oxolan-2-yl]amino]-N-methylpropanamide

C14H26N3O5P — CID 134425265

IUPAC3-[formyl-[3-methyl-5-[(1-oxopropan-2-ylamino)phosphanyloxymethyl]oxolan-2-yl]amino]-N-methylpropanamide
SMILESCNC(=O)CCN(C=O)C1OC(COPNC(C)C=O)CC1C
InChIInChI=1S/C14H26N3O5P/c1-10-6-12(8-21-23-16-11(2)7-18)22-14(10)17(9-19)5-4-13(20)15-3/h7,9-12,14,16,23H,4-6,8H2,1-3H3,(H,15,20)
InChIKeyGPIHIQVLBRVVDU-UHFFFAOYSA-N
MW347.35 g/mol
LogP0.03
Rot. Bonds11

About 3-[formyl-[3-methyl-5-[(1-oxopropan-2-ylamino)phosphanyloxymethyl]oxolan-2-yl]amino]-N-methylpropanamide

3-[formyl-[3-methyl-5-[(1-oxopropan-2-ylamino)phosphanyloxymethyl]oxolan-2-yl]amino]-N-methylpropanamide (PubChem CID 134425265) has the molecular formula C14H26N3O5P and a molecular weight of 347.35 g/mol. Its IUPAC name is 3-[formyl-[3-methyl-5-[(1-oxopropan-2-ylamino)phosphanyloxymethyl]oxolan-2-yl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[formyl-[3-methyl-5-[(1-oxopropan-2-ylamino)phosphanyloxymethyl]oxolan-2-yl]amino]-N-methylpropanamide
PubChem CID134425265
Molecular FormulaC14H26N3O5P
Molecular Weight347.35 g/mol
Exact Mass347.16
IUPAC Name3-[formyl-[3-methyl-5-[(1-oxopropan-2-ylamino)phosphanyloxymethyl]oxolan-2-yl]amino]-N-methylpropanamide
SMILESCNC(=O)CCN(C=O)C1OC(COPNC(C)C=O)CC1C
InChIInChI=1S/C14H26N3O5P/c1-10-6-12(8-21-23-16-11(2)7-18)22-14(10)17(9-19)5-4-13(20)15-3/h7,9-12,14,16,23H,4-6,8H2,1-3H3,(H,15,20)
InChIKeyGPIHIQVLBRVVDU-UHFFFAOYSA-N
XLogP0.03
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[formyl-[3-methyl-5-[(1-oxopropan-2-ylamino)phosphanyloxymethyl]oxolan-2-yl]amino]-N-methylpropanamide?
The IUPAC name of 3-[formyl-[3-methyl-5-[(1-oxopropan-2-ylamino)phosphanyloxymethyl]oxolan-2-yl]amino]-N-methylpropanamide (CID 134425265) is 3-[formyl-[3-methyl-5-[(1-oxopropan-2-ylamino)phosphanyloxymethyl]oxolan-2-yl]amino]-N-methylpropanamide.
What is the SMILES notation for 3-[formyl-[3-methyl-5-[(1-oxopropan-2-ylamino)phosphanyloxymethyl]oxolan-2-yl]amino]-N-methylpropanamide?
The canonical SMILES for 3-[formyl-[3-methyl-5-[(1-oxopropan-2-ylamino)phosphanyloxymethyl]oxolan-2-yl]amino]-N-methylpropanamide is CNC(=O)CCN(C=O)C1OC(COPNC(C)C=O)CC1C.
What is the InChIKey of 3-[formyl-[3-methyl-5-[(1-oxopropan-2-ylamino)phosphanyloxymethyl]oxolan-2-yl]amino]-N-methylpropanamide?
The InChIKey is GPIHIQVLBRVVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N3O5P/c1-10-6-12(8-21-23-16-11(2)7-18)22-14(10)17(9-19)5-4-13(20)15-3/h7,9-12,14,16,23H,4-6,8H2,1-3H3,(H,15,20).
What are the key properties of 3-[formyl-[3-methyl-5-[(1-oxopropan-2-ylamino)phosphanyloxymethyl]oxolan-2-yl]amino]-N-methylpropanamide?
3-[formyl-[3-methyl-5-[(1-oxopropan-2-ylamino)phosphanyloxymethyl]oxolan-2-yl]amino]-N-methylpropanamide has a molecular weight of 347.35 g/mol, XLogP of 0.03, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[formyl-[3-methyl-5-[(1-oxopropan-2-ylamino)phosphanyloxymethyl]oxolan-2-yl]amino]-N-methylpropanamide is sourced from PubChem (CID 134425265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).