methane;[(E)-1-(4-methoxy-3-pentoxyphenyl)ethylideneamino] carbamate

C16H26N2O4 — CID 143212762

IUPACmethane;[(E)-1-(4-methoxy-3-pentoxyphenyl)ethylideneamino] carbamate
SMILESC.CCCCCOc1cc(/C(C)=N/OC(N)=O)ccc1OC
InChIInChI=1S/C15H22N2O4.CH4/c1-4-5-6-9-20-14-10-12(7-8-13(14)19-3)11(2)17-21-15(16)18;/h7-8,10H,4-6,9H2,1-3H3,(H2,16,18);1H4/b17-11+;
InChIKeyNUCVNTTXQNNWBX-SJDTYFKWSA-N
MW310.39 g/mol
LogP3.72
Rot. Bonds8

About methane;[(E)-1-(4-methoxy-3-pentoxyphenyl)ethylideneamino] carbamate

methane;[(E)-1-(4-methoxy-3-pentoxyphenyl)ethylideneamino] carbamate (PubChem CID 143212762) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is methane;[(E)-1-(4-methoxy-3-pentoxyphenyl)ethylideneamino] carbamate.

Molecular Properties

Compound Namemethane;[(E)-1-(4-methoxy-3-pentoxyphenyl)ethylideneamino] carbamate
PubChem CID143212762
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC Namemethane;[(E)-1-(4-methoxy-3-pentoxyphenyl)ethylideneamino] carbamate
SMILESC.CCCCCOc1cc(/C(C)=N/OC(N)=O)ccc1OC
InChIInChI=1S/C15H22N2O4.CH4/c1-4-5-6-9-20-14-10-12(7-8-13(14)19-3)11(2)17-21-15(16)18;/h7-8,10H,4-6,9H2,1-3H3,(H2,16,18);1H4/b17-11+;
InChIKeyNUCVNTTXQNNWBX-SJDTYFKWSA-N
XLogP3.72
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-pentoxybenzamide
CID 82041442
1-(3-butoxy-4-methoxyphenyl)ethanone
CID 21189688
4-butoxy-3-methoxybenzamide
CID 47102628
3-butoxy-4-methoxybenzoyl chloride
CID 15733507
1-(3,4-diheptoxyphenyl)ethanone
CID 23127596
1-[3,4-di(nonoxy)phenyl]ethanone
CID 23127426
propyl 3-methoxy-4-pentoxybenzoate
CID 82186336
3,4-di(tridecoxy)benzoic acid
CID 66940296
pentyl (E)-3-(4-methoxy-3-pentoxyphenyl)prop-2-enoate
CID 19363451
6-methoxyhexyl 3-methoxy-4-pentoxybenzoate
CID 90138665
6-methoxyhexyl 4-hexoxy-3-methoxybenzoate
CID 121336036
2-amino-1-(3,4-dioctoxyphenyl)ethanone
CID 170860475

Frequently Asked Questions

What is the IUPAC name of methane;[(E)-1-(4-methoxy-3-pentoxyphenyl)ethylideneamino] carbamate?
The IUPAC name of methane;[(E)-1-(4-methoxy-3-pentoxyphenyl)ethylideneamino] carbamate (CID 143212762) is methane;[(E)-1-(4-methoxy-3-pentoxyphenyl)ethylideneamino] carbamate.
What is the SMILES notation for methane;[(E)-1-(4-methoxy-3-pentoxyphenyl)ethylideneamino] carbamate?
The canonical SMILES for methane;[(E)-1-(4-methoxy-3-pentoxyphenyl)ethylideneamino] carbamate is C.CCCCCOc1cc(/C(C)=N/OC(N)=O)ccc1OC.
What is the InChIKey of methane;[(E)-1-(4-methoxy-3-pentoxyphenyl)ethylideneamino] carbamate?
The InChIKey is NUCVNTTXQNNWBX-SJDTYFKWSA-N. The full InChI is InChI=1S/C15H22N2O4.CH4/c1-4-5-6-9-20-14-10-12(7-8-13(14)19-3)11(2)17-21-15(16)18;/h7-8,10H,4-6,9H2,1-3H3,(H2,16,18);1H4/b17-11+;.
What are the key properties of methane;[(E)-1-(4-methoxy-3-pentoxyphenyl)ethylideneamino] carbamate?
methane;[(E)-1-(4-methoxy-3-pentoxyphenyl)ethylideneamino] carbamate has a molecular weight of 310.39 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[(E)-1-(4-methoxy-3-pentoxyphenyl)ethylideneamino] carbamate is sourced from PubChem (CID 143212762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).