1-[[phenoxy(tetradecan-2-yloxy)phosphoryl]amino]-3-(2,4,6-trimethoxyphenyl)urea

C30H48N3O7P — CID 57239868

IUPAC1-[[phenoxy(tetradecan-2-yloxy)phosphoryl]amino]-3-(2,4,6-trimethoxyphenyl)urea
SMILESCCCCCCCCCCCCC(C)OP(=O)(NNC(=O)Nc1c(OC)cc(OC)cc1OC)Oc1ccccc1
InChIInChI=1S/C30H48N3O7P/c1-6-7-8-9-10-11-12-13-14-16-19-24(2)39-41(35,40-25-20-17-15-18-21-25)33-32-30(34)31-29-27(37-4)22-26(36-3)23-28(29)38-5/h15,17-18,20-24H,6-14,16,19H2,1-5H3,(H,33,35)(H2,31,32,34)
InChIKeyDZKWZRSSDCSHHJ-UHFFFAOYSA-N
MW593.70 g/mol
LogP8.24
Rot. Bonds21

About 1-[[phenoxy(tetradecan-2-yloxy)phosphoryl]amino]-3-(2,4,6-trimethoxyphenyl)urea

1-[[phenoxy(tetradecan-2-yloxy)phosphoryl]amino]-3-(2,4,6-trimethoxyphenyl)urea (PubChem CID 57239868) has the molecular formula C30H48N3O7P and a molecular weight of 593.70 g/mol. Its IUPAC name is 1-[[phenoxy(tetradecan-2-yloxy)phosphoryl]amino]-3-(2,4,6-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[[phenoxy(tetradecan-2-yloxy)phosphoryl]amino]-3-(2,4,6-trimethoxyphenyl)urea
PubChem CID57239868
Molecular FormulaC30H48N3O7P
Molecular Weight593.70 g/mol
Exact Mass593.32
IUPAC Name1-[[phenoxy(tetradecan-2-yloxy)phosphoryl]amino]-3-(2,4,6-trimethoxyphenyl)urea
SMILESCCCCCCCCCCCCC(C)OP(=O)(NNC(=O)Nc1c(OC)cc(OC)cc1OC)Oc1ccccc1
InChIInChI=1S/C30H48N3O7P/c1-6-7-8-9-10-11-12-13-14-16-19-24(2)39-41(35,40-25-20-17-15-18-21-25)33-32-30(34)31-29-27(37-4)22-26(36-3)23-28(29)38-5/h15,17-18,20-24H,6-14,16,19H2,1-5H3,(H,33,35)(H2,31,32,34)
InChIKeyDZKWZRSSDCSHHJ-UHFFFAOYSA-N
XLogP8.24
TPSA116.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.70
LogP ≤ 58.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2,4,6-trimethoxyphenyl)carbamoyl]hydrazinyl]phosphonic acid
CID 19764431
dihexan-2-yl phenyl phosphate
CID 68798686
2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)octadecanamide
CID 14276081
N-octan-2-yl-2-phenoxybenzamide
CID 4673195
2-[amino(tridecanoyl)amino]-2-phenyl-N-(2,4,6-trimethoxyphenyl)acetamide
CID 67723815
2-(4-tert-butylphenyl)sulfanyl-N-(2,4,6-trimethoxyphenyl)octanamide
CID 14995488
2,4-dimethoxy-N-nonan-2-ylaniline
CID 43129720
(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide
CID 67862538
(Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide
CID 14157095
[pentyl(phenyl)phosphoryl]-(2,4,6-trimethoxyphenyl)methanone
CID 18514103
decan-2-yloxybenzene
CID 12838331
3-(2-dodecyltetrazol-5-yl)-2-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide
CID 70116195

Frequently Asked Questions

What is the IUPAC name of 1-[[phenoxy(tetradecan-2-yloxy)phosphoryl]amino]-3-(2,4,6-trimethoxyphenyl)urea?
The IUPAC name of 1-[[phenoxy(tetradecan-2-yloxy)phosphoryl]amino]-3-(2,4,6-trimethoxyphenyl)urea (CID 57239868) is 1-[[phenoxy(tetradecan-2-yloxy)phosphoryl]amino]-3-(2,4,6-trimethoxyphenyl)urea.
What is the SMILES notation for 1-[[phenoxy(tetradecan-2-yloxy)phosphoryl]amino]-3-(2,4,6-trimethoxyphenyl)urea?
The canonical SMILES for 1-[[phenoxy(tetradecan-2-yloxy)phosphoryl]amino]-3-(2,4,6-trimethoxyphenyl)urea is CCCCCCCCCCCCC(C)OP(=O)(NNC(=O)Nc1c(OC)cc(OC)cc1OC)Oc1ccccc1.
What is the InChIKey of 1-[[phenoxy(tetradecan-2-yloxy)phosphoryl]amino]-3-(2,4,6-trimethoxyphenyl)urea?
The InChIKey is DZKWZRSSDCSHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48N3O7P/c1-6-7-8-9-10-11-12-13-14-16-19-24(2)39-41(35,40-25-20-17-15-18-21-25)33-32-30(34)31-29-27(37-4)22-26(36-3)23-28(29)38-5/h15,17-18,20-24H,6-14,16,19H2,1-5H3,(H,33,35)(H2,31,32,34).
What are the key properties of 1-[[phenoxy(tetradecan-2-yloxy)phosphoryl]amino]-3-(2,4,6-trimethoxyphenyl)urea?
1-[[phenoxy(tetradecan-2-yloxy)phosphoryl]amino]-3-(2,4,6-trimethoxyphenyl)urea has a molecular weight of 593.70 g/mol, XLogP of 8.24, 21 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[phenoxy(tetradecan-2-yloxy)phosphoryl]amino]-3-(2,4,6-trimethoxyphenyl)urea is sourced from PubChem (CID 57239868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).