[4-(aminomethoxycarbonylamino)phenyl]-trimethylazanium

C11H18N3O2+ — CID 174553866

IUPAC[4-(aminomethoxycarbonylamino)phenyl]-trimethylazanium
SMILESC[N+](C)(C)c1ccc(NC(=O)OCN)cc1
InChIInChI=1S/C11H17N3O2/c1-14(2,3)10-6-4-9(5-7-10)13-11(15)16-8-12/h4-7H,8,12H2,1-3H3/p+1
InChIKeyLFPOLHRADNMXGP-UHFFFAOYSA-O
MW224.28 g/mol
LogP1.35
Rot. Bonds3

About [4-(aminomethoxycarbonylamino)phenyl]-trimethylazanium

[4-(aminomethoxycarbonylamino)phenyl]-trimethylazanium (PubChem CID 174553866) has the molecular formula C11H18N3O2+ and a molecular weight of 224.28 g/mol. Its IUPAC name is [4-(aminomethoxycarbonylamino)phenyl]-trimethylazanium.

Molecular Properties

Compound Name[4-(aminomethoxycarbonylamino)phenyl]-trimethylazanium
PubChem CID174553866
Molecular FormulaC11H18N3O2+
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name[4-(aminomethoxycarbonylamino)phenyl]-trimethylazanium
SMILESC[N+](C)(C)c1ccc(NC(=O)OCN)cc1
InChIInChI=1S/C11H17N3O2/c1-14(2,3)10-6-4-9(5-7-10)13-11(15)16-8-12/h4-7H,8,12H2,1-3H3/p+1
InChIKeyLFPOLHRADNMXGP-UHFFFAOYSA-O
XLogP1.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[4-[[4-(trimethylazaniumyl)phenyl]carbamoylamino]phenyl]azanium
CID 3084454
2-fluoroethyl N-[4-(2-fluoroethoxycarbonylamino)phenyl]carbamate
CID 121003503
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
[4-(propoxycarbonylamino)phenyl]carbamic acid
CID 70130219
2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
CID 18877627
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
CID 43703992
ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate
CID 79472872
2-fluoroethyl N-(4-nitrophenyl)carbamate
CID 86209590
methyl N-[4-[(3-amino-2,2-dimethylpropanoyl)amino]phenyl]carbamate
CID 81490095

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethoxycarbonylamino)phenyl]-trimethylazanium?
The IUPAC name of [4-(aminomethoxycarbonylamino)phenyl]-trimethylazanium (CID 174553866) is [4-(aminomethoxycarbonylamino)phenyl]-trimethylazanium.
What is the SMILES notation for [4-(aminomethoxycarbonylamino)phenyl]-trimethylazanium?
The canonical SMILES for [4-(aminomethoxycarbonylamino)phenyl]-trimethylazanium is C[N+](C)(C)c1ccc(NC(=O)OCN)cc1.
What is the InChIKey of [4-(aminomethoxycarbonylamino)phenyl]-trimethylazanium?
The InChIKey is LFPOLHRADNMXGP-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H17N3O2/c1-14(2,3)10-6-4-9(5-7-10)13-11(15)16-8-12/h4-7H,8,12H2,1-3H3/p+1.
What are the key properties of [4-(aminomethoxycarbonylamino)phenyl]-trimethylazanium?
[4-(aminomethoxycarbonylamino)phenyl]-trimethylazanium has a molecular weight of 224.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethoxycarbonylamino)phenyl]-trimethylazanium is sourced from PubChem (CID 174553866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).