tert-butyl N-[[(4-tert-butylphenyl)-cyclopropylmethyl]amino]carbamate

C19H30N2O2 — CID 134538959

IUPACtert-butyl N-[[(4-tert-butylphenyl)-cyclopropylmethyl]amino]carbamate
SMILESCC(C)(C)OC(=O)NNC(c1ccc(C(C)(C)C)cc1)C1CC1
InChIInChI=1S/C19H30N2O2/c1-18(2,3)15-11-9-14(10-12-15)16(13-7-8-13)20-21-17(22)23-19(4,5)6/h9-13,16,20H,7-8H2,1-6H3,(H,21,22)
InChIKeyCEBDXSFOXKIRQO-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.46
Rot. Bonds4

About tert-butyl N-[[(4-tert-butylphenyl)-cyclopropylmethyl]amino]carbamate

tert-butyl N-[[(4-tert-butylphenyl)-cyclopropylmethyl]amino]carbamate (PubChem CID 134538959) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[[(4-tert-butylphenyl)-cyclopropylmethyl]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(4-tert-butylphenyl)-cyclopropylmethyl]amino]carbamate
PubChem CID134538959
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[[(4-tert-butylphenyl)-cyclopropylmethyl]amino]carbamate
SMILESCC(C)(C)OC(=O)NNC(c1ccc(C(C)(C)C)cc1)C1CC1
InChIInChI=1S/C19H30N2O2/c1-18(2,3)15-11-9-14(10-12-15)16(13-7-8-13)20-21-17(22)23-19(4,5)6/h9-13,16,20H,7-8H2,1-6H3,(H,21,22)
InChIKeyCEBDXSFOXKIRQO-UHFFFAOYSA-N
XLogP4.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[(4-chlorophenyl)-cyclopropylmethyl]amino]carbamate
CID 107236987
tert-butyl N-[[cyclopropyl-(4-fluorophenyl)methyl]amino]carbamate
CID 107237014
tert-butyl N-[[(S)-phenyl(piperidin-4-yl)methyl]amino]carbamate
CID 124679381
tert-butyl N-[[cyclopropyl(thiophen-2-yl)methyl]amino]carbamate
CID 107237123
tert-butyl N-[2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]propyl]carbamate
CID 107248301
4-[(1R)-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]ethyl]benzoic acid
CID 124664887
tert-butyl N-[(1R,2S)-1-(4-tert-butylphenyl)-1-hydroxypropan-2-yl]carbamate
CID 163243478
tert-butyl N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]carbamate
CID 107236604
tert-butyl N-[1-(3,4-dichlorophenyl)ethylamino]carbamate
CID 107236972
tert-butyl N-[(1-cyclopropyl-2-methoxyethyl)amino]carbamate
CID 107237163
4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 46580126
tert-butyl N-[1-(4-chloro-3-fluorophenyl)ethylamino]carbamate
CID 107237052

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(4-tert-butylphenyl)-cyclopropylmethyl]amino]carbamate?
The IUPAC name of tert-butyl N-[[(4-tert-butylphenyl)-cyclopropylmethyl]amino]carbamate (CID 134538959) is tert-butyl N-[[(4-tert-butylphenyl)-cyclopropylmethyl]amino]carbamate.
What is the SMILES notation for tert-butyl N-[[(4-tert-butylphenyl)-cyclopropylmethyl]amino]carbamate?
The canonical SMILES for tert-butyl N-[[(4-tert-butylphenyl)-cyclopropylmethyl]amino]carbamate is CC(C)(C)OC(=O)NNC(c1ccc(C(C)(C)C)cc1)C1CC1.
What is the InChIKey of tert-butyl N-[[(4-tert-butylphenyl)-cyclopropylmethyl]amino]carbamate?
The InChIKey is CEBDXSFOXKIRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-18(2,3)15-11-9-14(10-12-15)16(13-7-8-13)20-21-17(22)23-19(4,5)6/h9-13,16,20H,7-8H2,1-6H3,(H,21,22).
What are the key properties of tert-butyl N-[[(4-tert-butylphenyl)-cyclopropylmethyl]amino]carbamate?
tert-butyl N-[[(4-tert-butylphenyl)-cyclopropylmethyl]amino]carbamate has a molecular weight of 318.46 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(4-tert-butylphenyl)-cyclopropylmethyl]amino]carbamate is sourced from PubChem (CID 134538959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).