tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate

C15H22N2O3 — CID 71248417

IUPACtert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
SMILESCc1cccc(C(=O)NCCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-11-6-5-7-12(10-11)13(18)16-8-9-17-14(19)20-15(2,3)4/h5-7,10H,8-9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyDWQRHAVLAIHCSX-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.25
Rot. Bonds4

About tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate

tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate (PubChem CID 71248417) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
PubChem CID71248417
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
SMILESCc1cccc(C(=O)NCCNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C15H22N2O3/c1-11-6-5-7-12(10-11)13(18)16-8-9-17-14(19)20-15(2,3)4/h5-7,10H,8-9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyDWQRHAVLAIHCSX-UHFFFAOYSA-N
XLogP2.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[3-[(3-methylbenzoyl)amino]propylamino]-2-oxoethyl]carbamate
CID 108918762
tert-butyl N-[2-[[3-methyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]benzoyl]amino]ethyl]carbamate
CID 144646246
tert-butyl N-[4-[(3-chlorobenzoyl)amino]butyl]carbamate
CID 139824741
tert-butyl N-[2-[2-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917372
tert-butyl N-[2-[2-[(3-hydroxybenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537178
tert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate
CID 24533397
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191330
N-[2-[(N-tert-butyl-N'-methylcarbamimidoyl)amino]ethyl]-3-methylbenzamide
CID 110967266
tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate
CID 51095808
tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate
CID 102739374
tert-butyl N-[2-[(3,5-dichlorobenzoyl)amino]ethyl]carbamate
CID 52778263

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate (CID 71248417) is tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate is Cc1cccc(C(=O)NCCNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate?
The InChIKey is DWQRHAVLAIHCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-6-5-7-12(10-11)13(18)16-8-9-17-14(19)20-15(2,3)4/h5-7,10H,8-9H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate is sourced from PubChem (CID 71248417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).