[[3-(diethylaminomethyl)-4-methoxyphenyl]methylideneamino]urea

C14H22N4O2 — CID 168532425

IUPAC[[3-(diethylaminomethyl)-4-methoxyphenyl]methylideneamino]urea
SMILESCCN(CC)Cc1cc(C=NNC(N)=O)ccc1OC
InChIInChI=1S/C14H22N4O2/c1-4-18(5-2)10-12-8-11(6-7-13(12)20-3)9-16-17-14(15)19/h6-9H,4-5,10H2,1-3H3,(H3,15,17,19)
InChIKeyPQSXXUSMKFUZSV-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.54
Rot. Bonds7

About [[3-(diethylaminomethyl)-4-methoxyphenyl]methylideneamino]urea

[[3-(diethylaminomethyl)-4-methoxyphenyl]methylideneamino]urea (PubChem CID 168532425) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [[3-(diethylaminomethyl)-4-methoxyphenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[3-(diethylaminomethyl)-4-methoxyphenyl]methylideneamino]urea
PubChem CID168532425
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name[[3-(diethylaminomethyl)-4-methoxyphenyl]methylideneamino]urea
SMILESCCN(CC)Cc1cc(C=NNC(N)=O)ccc1OC
InChIInChI=1S/C14H22N4O2/c1-4-18(5-2)10-12-8-11(6-7-13(12)20-3)9-16-17-14(15)19/h6-9H,4-5,10H2,1-3H3,(H3,15,17,19)
InChIKeyPQSXXUSMKFUZSV-UHFFFAOYSA-N
XLogP1.54
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
N-[(Z)-[3-(diethylaminomethyl)-4-methoxyphenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6127807
[[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]urea
CID 168532453
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
CID 71670048
[(E)-(4-hexadecoxy-3-methoxyphenyl)methylideneamino]urea
CID 10812700
[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110536766
[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea
CID 84903812
[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea
CID 9017274
[(4-methoxy-3-prop-2-ynoxyphenyl)methylideneamino]urea
CID 168533701
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19655720
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
[[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]urea
CID 2588719

Frequently Asked Questions

What is the IUPAC name of [[3-(diethylaminomethyl)-4-methoxyphenyl]methylideneamino]urea?
The IUPAC name of [[3-(diethylaminomethyl)-4-methoxyphenyl]methylideneamino]urea (CID 168532425) is [[3-(diethylaminomethyl)-4-methoxyphenyl]methylideneamino]urea.
What is the SMILES notation for [[3-(diethylaminomethyl)-4-methoxyphenyl]methylideneamino]urea?
The canonical SMILES for [[3-(diethylaminomethyl)-4-methoxyphenyl]methylideneamino]urea is CCN(CC)Cc1cc(C=NNC(N)=O)ccc1OC.
What is the InChIKey of [[3-(diethylaminomethyl)-4-methoxyphenyl]methylideneamino]urea?
The InChIKey is PQSXXUSMKFUZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-18(5-2)10-12-8-11(6-7-13(12)20-3)9-16-17-14(15)19/h6-9H,4-5,10H2,1-3H3,(H3,15,17,19).
What are the key properties of [[3-(diethylaminomethyl)-4-methoxyphenyl]methylideneamino]urea?
[[3-(diethylaminomethyl)-4-methoxyphenyl]methylideneamino]urea has a molecular weight of 278.36 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-(diethylaminomethyl)-4-methoxyphenyl]methylideneamino]urea is sourced from PubChem (CID 168532425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).