2-methylpropyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate

C15H20N2O2 — CID 60813431

IUPAC2-methylpropyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate
SMILESCc1cc(C#CCN)ccc1NC(=O)OCC(C)C
InChIInChI=1S/C15H20N2O2/c1-11(2)10-19-15(18)17-14-7-6-13(5-4-8-16)9-12(14)3/h6-7,9,11H,8,10,16H2,1-3H3,(H,17,18)
InChIKeyULSJOJNIJKKIDN-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.51
Rot. Bonds3

About 2-methylpropyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate

2-methylpropyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate (PubChem CID 60813431) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-methylpropyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate
PubChem CID60813431
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-methylpropyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate
SMILESCc1cc(C#CCN)ccc1NC(=O)OCC(C)C
InChIInChI=1S/C15H20N2O2/c1-11(2)10-19-15(18)17-14-7-6-13(5-4-8-16)9-12(14)3/h6-7,9,11H,8,10,16H2,1-3H3,(H,17,18)
InChIKeyULSJOJNIJKKIDN-UHFFFAOYSA-N
XLogP2.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methylpropyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate 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

methyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate
CID 60813432
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propan-2-yloxyacetamide
CID 112603664
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-methoxypropanamide
CID 62589692
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-methoxy-3-methylbutanamide
CID 103021948
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-hydroxybenzamide
CID 60813882
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-2-propoxyacetamide
CID 107940419
methyl 2-[[4-(3-aminoprop-1-ynyl)-2-methylphenyl]sulfamoyl]propanoate
CID 61459272
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-4-chlorobenzamide
CID 60813543
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]-3-propoxypropanamide
CID 62715476
4-(3-aminoprop-1-ynyl)-N-(2,4-dimethylphenyl)benzamide
CID 60821609
4-(3-aminoprop-1-ynyl)-2-methyl-N-(2-methylpropylsulfamoyl)aniline
CID 114816502
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide
CID 60813372

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate?
The IUPAC name of 2-methylpropyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate (CID 60813431) is 2-methylpropyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate is Cc1cc(C#CCN)ccc1NC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate?
The InChIKey is ULSJOJNIJKKIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)10-19-15(18)17-14-7-6-13(5-4-8-16)9-12(14)3/h6-7,9,11H,8,10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-methylpropyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate?
2-methylpropyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate has a molecular weight of 260.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]carbamate is sourced from PubChem (CID 60813431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).