2-[N-(2-carbamoyloxyethyl)-4-methylanilino]ethyl carbamate

C13H19N3O4 — CID 29550

IUPAC2-[N-(2-carbamoyloxyethyl)-4-methylanilino]ethyl carbamate
SMILESCc1ccc(N(CCOC(N)=O)CCOC(N)=O)cc1
InChIInChI=1S/C13H19N3O4/c1-10-2-4-11(5-3-10)16(6-8-19-12(14)17)7-9-20-13(15)18/h2-5H,6-9H2,1H3,(H2,14,17)(H2,15,18)
InChIKeyGQXKWCRRYZSWDU-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.99
Rot. Bonds7

About 2-[N-(2-carbamoyloxyethyl)-4-methylanilino]ethyl carbamate

2-[N-(2-carbamoyloxyethyl)-4-methylanilino]ethyl carbamate (PubChem CID 29550) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[N-(2-carbamoyloxyethyl)-4-methylanilino]ethyl carbamate.

Molecular Properties

Compound Name2-[N-(2-carbamoyloxyethyl)-4-methylanilino]ethyl carbamate
PubChem CID29550
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[N-(2-carbamoyloxyethyl)-4-methylanilino]ethyl carbamate
SMILESCc1ccc(N(CCOC(N)=O)CCOC(N)=O)cc1
InChIInChI=1S/C13H19N3O4/c1-10-2-4-11(5-3-10)16(6-8-19-12(14)17)7-9-20-13(15)18/h2-5H,6-9H2,1H3,(H2,14,17)(H2,15,18)
InChIKeyGQXKWCRRYZSWDU-UHFFFAOYSA-N
XLogP0.99
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[4-methyl-N-(2-prop-2-enoyloxyethyl)anilino]ethyl prop-2-enoate
CID 59017027
2-[N-[2-(2-iodopropanoyloxy)ethyl]-4-methylanilino]ethyl 2-iodopropanoate
CID 162508887
2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid
CID 60839571
2-(N-(3-amino-3-oxopropyl)-4-methylanilino)acetic acid
CID 60839570
ethane;4-methyl-N,N-dipropylaniline
CID 143993396
4-(4-methylphenyl)but-3-ynyl carbamate
CID 135084426
ethyl N-carbamoyl-N-(4-methylphenyl)carbamate
CID 3044299
3-[N-[3-(2-methoxyethoxy)propyl]-4-methylanilino]propanoic acid
CID 103410820
3-[4-methoxy-N-(2-methoxyethyl)anilino]propanamide
CID 34740045
2-[4-methyl-N-[2-tri(propan-2-yl)silyloxyethyl]anilino]ethanol
CID 154684534
2-[N-(3-aminopropyl)-4-methylanilino]acetic acid
CID 63654241
2-(4-methyl-N-propylanilino)acetic acid
CID 19875097

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-carbamoyloxyethyl)-4-methylanilino]ethyl carbamate?
The IUPAC name of 2-[N-(2-carbamoyloxyethyl)-4-methylanilino]ethyl carbamate (CID 29550) is 2-[N-(2-carbamoyloxyethyl)-4-methylanilino]ethyl carbamate.
What is the SMILES notation for 2-[N-(2-carbamoyloxyethyl)-4-methylanilino]ethyl carbamate?
The canonical SMILES for 2-[N-(2-carbamoyloxyethyl)-4-methylanilino]ethyl carbamate is Cc1ccc(N(CCOC(N)=O)CCOC(N)=O)cc1.
What is the InChIKey of 2-[N-(2-carbamoyloxyethyl)-4-methylanilino]ethyl carbamate?
The InChIKey is GQXKWCRRYZSWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-10-2-4-11(5-3-10)16(6-8-19-12(14)17)7-9-20-13(15)18/h2-5H,6-9H2,1H3,(H2,14,17)(H2,15,18).
What are the key properties of 2-[N-(2-carbamoyloxyethyl)-4-methylanilino]ethyl carbamate?
2-[N-(2-carbamoyloxyethyl)-4-methylanilino]ethyl carbamate has a molecular weight of 281.31 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-carbamoyloxyethyl)-4-methylanilino]ethyl carbamate is sourced from PubChem (CID 29550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).