2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate

C12H17N3O4 — CID 83211507

IUPAC2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate
SMILESNC(=O)COc1ccc(CNCCOC(N)=O)cc1
InChIInChI=1S/C12H17N3O4/c13-11(16)8-19-10-3-1-9(2-4-10)7-15-5-6-18-12(14)17/h1-4,15H,5-8H2,(H2,13,16)(H2,14,17)
InChIKeyNBYKJOHHUDVDBL-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.26
Rot. Bonds8

About 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate

2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate (PubChem CID 83211507) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate
PubChem CID83211507
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate
SMILESNC(=O)COc1ccc(CNCCOC(N)=O)cc1
InChIInChI=1S/C12H17N3O4/c13-11(16)8-19-10-3-1-9(2-4-10)7-15-5-6-18-12(14)17/h1-4,15H,5-8H2,(H2,13,16)(H2,14,17)
InChIKeyNBYKJOHHUDVDBL-UHFFFAOYSA-N
XLogP-0.26
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]butanoate
CID 60782524
2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide
CID 61166013
2-[4-[(furan-3-ylmethylamino)methyl]phenoxy]acetamide
CID 115585264
2-[4-[(2,3-dimethylbutylamino)methyl]phenoxy]acetamide
CID 64568674
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]-N-propylacetamide
CID 43401621
2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid
CID 71422873
2-[4-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]phenoxy]acetamide
CID 104857751
2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide
CID 106125082
2-[4-[(2,2,3-trimethylbutylamino)methyl]phenoxy]acetamide
CID 102609863
2-[4-[[(2-hydroxy-3-methylbutyl)amino]methyl]phenoxy]acetamide
CID 115630578
2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide
CID 64988514
3-[4-(propylaminomethyl)phenoxy]propanamide
CID 43276993

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate?
The IUPAC name of 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate (CID 83211507) is 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate.
What is the SMILES notation for 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate?
The canonical SMILES for 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate is NC(=O)COc1ccc(CNCCOC(N)=O)cc1.
What is the InChIKey of 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate?
The InChIKey is NBYKJOHHUDVDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c13-11(16)8-19-10-3-1-9(2-4-10)7-15-5-6-18-12(14)17/h1-4,15H,5-8H2,(H2,13,16)(H2,14,17).
What are the key properties of 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate?
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate has a molecular weight of 267.29 g/mol, XLogP of -0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate is sourced from PubChem (CID 83211507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).