2-[2-[[4-(aminomethyl)phenyl]carbamoylamino]ethoxy]acetamide

C12H18N4O3 — CID 106238550

IUPAC2-[2-[[4-(aminomethyl)phenyl]carbamoylamino]ethoxy]acetamide
SMILESNCc1ccc(NC(=O)NCCOCC(N)=O)cc1
InChIInChI=1S/C12H18N4O3/c13-7-9-1-3-10(4-2-9)16-12(18)15-5-6-19-8-11(14)17/h1-4H,5-8,13H2,(H2,14,17)(H2,15,16,18)
InChIKeyGEIRPLNDLHJEOV-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.23
Rot. Bonds7

About 2-[2-[[4-(aminomethyl)phenyl]carbamoylamino]ethoxy]acetamide

2-[2-[[4-(aminomethyl)phenyl]carbamoylamino]ethoxy]acetamide (PubChem CID 106238550) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[2-[[4-(aminomethyl)phenyl]carbamoylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[4-(aminomethyl)phenyl]carbamoylamino]ethoxy]acetamide
PubChem CID106238550
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[2-[[4-(aminomethyl)phenyl]carbamoylamino]ethoxy]acetamide
SMILESNCc1ccc(NC(=O)NCCOCC(N)=O)cc1
InChIInChI=1S/C12H18N4O3/c13-7-9-1-3-10(4-2-9)16-12(18)15-5-6-19-8-11(14)17/h1-4H,5-8,13H2,(H2,14,17)(H2,15,16,18)
InChIKeyGEIRPLNDLHJEOV-UHFFFAOYSA-N
XLogP-0.23
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-(aminomethyl)phenyl]carbamoylamino]pentanamide
CID 106238546
2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463712
1-[4-(aminomethyl)phenyl]-3-(3-methylbutyl)urea
CID 43132978
2-[2-[[3-[1-(methylamino)ethyl]phenyl]carbamoylamino]ethoxy]acetamide
CID 106240894
2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463530
N-[4-(aminomethyl)phenyl]-2-pentoxyacetamide
CID 43275032
1-phenyl-3-(2-phenylmethoxyethyl)urea
CID 56923115
2-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]-4-bromobenzoic acid
CID 106239393
4-[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]-3-hydroxybenzoic acid
CID 106239371
5-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]furan-2-carboxylic acid
CID 114162732
(2S)-2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 106236638
2-[2-[(4-propan-2-yloxyphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463310

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(aminomethyl)phenyl]carbamoylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[[4-(aminomethyl)phenyl]carbamoylamino]ethoxy]acetamide (CID 106238550) is 2-[2-[[4-(aminomethyl)phenyl]carbamoylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[[4-(aminomethyl)phenyl]carbamoylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[[4-(aminomethyl)phenyl]carbamoylamino]ethoxy]acetamide is NCc1ccc(NC(=O)NCCOCC(N)=O)cc1.
What is the InChIKey of 2-[2-[[4-(aminomethyl)phenyl]carbamoylamino]ethoxy]acetamide?
The InChIKey is GEIRPLNDLHJEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c13-7-9-1-3-10(4-2-9)16-12(18)15-5-6-19-8-11(14)17/h1-4H,5-8,13H2,(H2,14,17)(H2,15,16,18).
What are the key properties of 2-[2-[[4-(aminomethyl)phenyl]carbamoylamino]ethoxy]acetamide?
2-[2-[[4-(aminomethyl)phenyl]carbamoylamino]ethoxy]acetamide has a molecular weight of 266.30 g/mol, XLogP of -0.23, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(aminomethyl)phenyl]carbamoylamino]ethoxy]acetamide is sourced from PubChem (CID 106238550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).