butan-2-yl N-(3-aminophenyl)carbamate

C11H16N2O2 — CID 60904542

IUPACbutan-2-yl N-(3-aminophenyl)carbamate
SMILESCCC(C)OC(=O)Nc1cccc(N)c1
InChIInChI=1S/C11H16N2O2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h4-8H,3,12H2,1-2H3,(H,13,14)
InChIKeyIVJASSDJZXHKKM-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.62
Rot. Bonds3

About butan-2-yl N-(3-aminophenyl)carbamate

butan-2-yl N-(3-aminophenyl)carbamate (PubChem CID 60904542) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is butan-2-yl N-(3-aminophenyl)carbamate.

Molecular Properties

Compound Namebutan-2-yl N-(3-aminophenyl)carbamate
PubChem CID60904542
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namebutan-2-yl N-(3-aminophenyl)carbamate
SMILESCCC(C)OC(=O)Nc1cccc(N)c1
InChIInChI=1S/C11H16N2O2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h4-8H,3,12H2,1-2H3,(H,13,14)
InChIKeyIVJASSDJZXHKKM-UHFFFAOYSA-N
XLogP2.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

pentan-2-yl N-(3-aminophenyl)carbamate
CID 102982916
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
N-(3-aminophenyl)-4-butan-2-yloxybutanamide
CID 54943755
N-(3-aminophenyl)-2-ethoxypropanamide
CID 16782214
N-(3-aminophenyl)acetamide;hydrate;hydrochloride
CID 91872080
[(2S)-butan-2-yl] N-(4-bromophenyl)carbamate
CID 124750280
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841
(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
butan-2-yl N-(5-amino-2-pyridinyl)carbamate
CID 150685008
3-(3-aminophenyl)-1-butan-2-yl-1-(2-methoxyethyl)urea
CID 55000887
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720

Frequently Asked Questions

What is the IUPAC name of butan-2-yl N-(3-aminophenyl)carbamate?
The IUPAC name of butan-2-yl N-(3-aminophenyl)carbamate (CID 60904542) is butan-2-yl N-(3-aminophenyl)carbamate.
What is the SMILES notation for butan-2-yl N-(3-aminophenyl)carbamate?
The canonical SMILES for butan-2-yl N-(3-aminophenyl)carbamate is CCC(C)OC(=O)Nc1cccc(N)c1.
What is the InChIKey of butan-2-yl N-(3-aminophenyl)carbamate?
The InChIKey is IVJASSDJZXHKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h4-8H,3,12H2,1-2H3,(H,13,14).
What are the key properties of butan-2-yl N-(3-aminophenyl)carbamate?
butan-2-yl N-(3-aminophenyl)carbamate has a molecular weight of 208.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl N-(3-aminophenyl)carbamate is sourced from PubChem (CID 60904542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).