tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine

C15H25N3O3 — CID 145259972

IUPACtert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine
SMILESCC(C)(C)OC(=O)NCC(=O)NCc1ccccc1.CN
InChIInChI=1S/C14H20N2O3.CH5N/c1-14(2,3)19-13(18)16-10-12(17)15-9-11-7-5-4-6-8-11;1-2/h4-8H,9-10H2,1-3H3,(H,15,17)(H,16,18);2H2,1H3
InChIKeyKDETXZWOQJDFOJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.40
Rot. Bonds4

About tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine

tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine (PubChem CID 145259972) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine.

Molecular Properties

Compound Nametert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine
PubChem CID145259972
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Nametert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine
SMILESCC(C)(C)OC(=O)NCC(=O)NCc1ccccc1.CN
InChIInChI=1S/C14H20N2O3.CH5N/c1-14(2,3)19-13(18)16-10-12(17)15-9-11-7-5-4-6-8-11;1-2/h4-8H,9-10H2,1-3H3,(H,15,17)(H,16,18);2H2,1H3
InChIKeyKDETXZWOQJDFOJ-UHFFFAOYSA-N
XLogP1.40
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate
CID 10382434
tert-butyl N-[2-[[3-(hydroxymethyl)phenyl]methylamino]-2-oxoethyl]carbamate
CID 56826930
tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate
CID 9138499
tert-butyl N-[2-[[4-(methylamino)phenyl]methylamino]-2-oxoethyl]carbamate
CID 142045307
benzyl 3-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate
CID 175453126
tert-butyl N-[2-oxo-2-[3-[[(2-phenylacetyl)amino]methyl]anilino]ethyl]carbamate
CID 108918347
tert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate
CID 108917509
tert-butyl N-[[3-[[[2-(methylamino)acetyl]amino]methyl]phenyl]methyl]carbamate
CID 174196710
tert-butyl N-[2-[[4-[[2-(3-methylphenyl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917759
N-[2-(benzylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36895898
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
CID 66616766
2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11851409

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine?
The IUPAC name of tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine (CID 145259972) is tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine.
What is the SMILES notation for tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine?
The canonical SMILES for tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine is CC(C)(C)OC(=O)NCC(=O)NCc1ccccc1.CN.
What is the InChIKey of tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine?
The InChIKey is KDETXZWOQJDFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3.CH5N/c1-14(2,3)19-13(18)16-10-12(17)15-9-11-7-5-4-6-8-11;1-2/h4-8H,9-10H2,1-3H3,(H,15,17)(H,16,18);2H2,1H3.
What are the key properties of tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine?
tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine has a molecular weight of 295.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine is sourced from PubChem (CID 145259972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).