propan-2-yl N-[1-(4-aminophenyl)propan-2-yl]carbamate

C13H20N2O2 — CID 20667102

IUPACpropan-2-yl N-[1-(4-aminophenyl)propan-2-yl]carbamate
SMILESCC(Cc1ccc(N)cc1)NC(=O)OC(C)C
InChIInChI=1S/C13H20N2O2/c1-9(2)17-13(16)15-10(3)8-11-4-6-12(14)7-5-11/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)
InChIKeyVGBAHTNDAVOIQW-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.33
Rot. Bonds4

About propan-2-yl N-[1-(4-aminophenyl)propan-2-yl]carbamate

propan-2-yl N-[1-(4-aminophenyl)propan-2-yl]carbamate (PubChem CID 20667102) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is propan-2-yl N-[1-(4-aminophenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-(4-aminophenyl)propan-2-yl]carbamate
PubChem CID20667102
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namepropan-2-yl N-[1-(4-aminophenyl)propan-2-yl]carbamate
SMILESCC(Cc1ccc(N)cc1)NC(=O)OC(C)C
InChIInChI=1S/C13H20N2O2/c1-9(2)17-13(16)15-10(3)8-11-4-6-12(14)7-5-11/h4-7,9-10H,8,14H2,1-3H3,(H,15,16)
InChIKeyVGBAHTNDAVOIQW-UHFFFAOYSA-N
XLogP2.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate
CID 97184757
methyl 3-(4-aminophenyl)-2-propan-2-yloxypropanoate
CID 141068756
propan-2-yl N-[1-[4-[[3-[[amino-(carbamoylamino)methylidene]amino]benzoyl]amino]phenyl]propan-2-yl]carbamate
CID 135723165
propan-2-yl N-(4-amino-4-oxobutan-2-yl)carbamate
CID 116657976
propan-2-yl N-(4-aminobutan-2-yl)carbamate
CID 62094213
[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416
methyl N-[1-(4-ethynylphenyl)propan-2-yl]carbamate
CID 87085144
tert-butyl 2-methyl-2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]propanoate
CID 20674576
(2S)-2-amino-3-(4-nitrophenyl)propanoic acid;benzyl N-[(2R)-1-(4-aminophenyl)propan-2-yl]carbamate;benzyl N-[(2R)-1-(4-nitrophenyl)propan-2-yl]carbamate
CID 160907290
(E)-3-(4-aminophenyl)-N-(1-phenylpropan-2-yl)prop-2-enamide
CID 115344062
methyl N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]carbamate
CID 66634887
2-[1-(4-aminophenyl)propan-2-ylamino]pentanoic acid
CID 82257201

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-(4-aminophenyl)propan-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[1-(4-aminophenyl)propan-2-yl]carbamate (CID 20667102) is propan-2-yl N-[1-(4-aminophenyl)propan-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-(4-aminophenyl)propan-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[1-(4-aminophenyl)propan-2-yl]carbamate is CC(Cc1ccc(N)cc1)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[1-(4-aminophenyl)propan-2-yl]carbamate?
The InChIKey is VGBAHTNDAVOIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(2)17-13(16)15-10(3)8-11-4-6-12(14)7-5-11/h4-7,9-10H,8,14H2,1-3H3,(H,15,16).
What are the key properties of propan-2-yl N-[1-(4-aminophenyl)propan-2-yl]carbamate?
propan-2-yl N-[1-(4-aminophenyl)propan-2-yl]carbamate has a molecular weight of 236.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-(4-aminophenyl)propan-2-yl]carbamate is sourced from PubChem (CID 20667102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).