butan-2-yl N-[2-(2-methoxyethoxy)ethyl]carbamate;molecular hydrogen

C10H23NO4 — CID 154661368

IUPACbutan-2-yl N-[2-(2-methoxyethoxy)ethyl]carbamate;molecular hydrogen
SMILESCCC(C)OC(=O)NCCOCCOC.[H][H]
InChIInChI=1S/C10H21NO4.H2/c1-4-9(2)15-10(12)11-5-6-14-8-7-13-3;/h9H,4-8H2,1-3H3,(H,11,12);1H
InChIKeySVQBVDCLDBPNMK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.42
Rot. Bonds8

About butan-2-yl N-[2-(2-methoxyethoxy)ethyl]carbamate;molecular hydrogen

butan-2-yl N-[2-(2-methoxyethoxy)ethyl]carbamate;molecular hydrogen (PubChem CID 154661368) has the molecular formula C10H23NO4 and a molecular weight of 221.30 g/mol. Its IUPAC name is butan-2-yl N-[2-(2-methoxyethoxy)ethyl]carbamate;molecular hydrogen.

Molecular Properties

Compound Namebutan-2-yl N-[2-(2-methoxyethoxy)ethyl]carbamate;molecular hydrogen
PubChem CID154661368
Molecular FormulaC10H23NO4
Molecular Weight221.30 g/mol
Exact Mass221.16
IUPAC Namebutan-2-yl N-[2-(2-methoxyethoxy)ethyl]carbamate;molecular hydrogen
SMILESCCC(C)OC(=O)NCCOCCOC.[H][H]
InChIInChI=1S/C10H21NO4.H2/c1-4-9(2)15-10(12)11-5-6-14-8-7-13-3;/h9H,4-8H2,1-3H3,(H,11,12);1H
InChIKeySVQBVDCLDBPNMK-UHFFFAOYSA-N
XLogP1.42
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butan-2-yl N-[2-(2-methoxyethoxy)ethyl]carbamate;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 59789572
butan-2-yl N-[2-(4-butan-2-yloxyphenoxy)ethyl]carbamate
CID 14552663
propan-2-yl N-[2-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 162683918
(2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide
CID 79023015
3-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-methylpropanamide
CID 62726665
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 78977070
1-chloroethyl N-(2-methoxyethyl)carbamate
CID 150618578
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
2-hydroxyethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 79348554
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea
CID 176960300
butan-2-yl N-(2-morpholin-4-ylethyl)carbamate;molecular hydrogen
CID 154661230
2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 177055297

Frequently Asked Questions

What is the IUPAC name of butan-2-yl N-[2-(2-methoxyethoxy)ethyl]carbamate;molecular hydrogen?
The IUPAC name of butan-2-yl N-[2-(2-methoxyethoxy)ethyl]carbamate;molecular hydrogen (CID 154661368) is butan-2-yl N-[2-(2-methoxyethoxy)ethyl]carbamate;molecular hydrogen.
What is the SMILES notation for butan-2-yl N-[2-(2-methoxyethoxy)ethyl]carbamate;molecular hydrogen?
The canonical SMILES for butan-2-yl N-[2-(2-methoxyethoxy)ethyl]carbamate;molecular hydrogen is CCC(C)OC(=O)NCCOCCOC.[H][H].
What is the InChIKey of butan-2-yl N-[2-(2-methoxyethoxy)ethyl]carbamate;molecular hydrogen?
The InChIKey is SVQBVDCLDBPNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4.H2/c1-4-9(2)15-10(12)11-5-6-14-8-7-13-3;/h9H,4-8H2,1-3H3,(H,11,12);1H.
What are the key properties of butan-2-yl N-[2-(2-methoxyethoxy)ethyl]carbamate;molecular hydrogen?
butan-2-yl N-[2-(2-methoxyethoxy)ethyl]carbamate;molecular hydrogen has a molecular weight of 221.30 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl N-[2-(2-methoxyethoxy)ethyl]carbamate;molecular hydrogen is sourced from PubChem (CID 154661368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).