tert-butyl N-[2-[(4-imino-6-phenylhexan-2-yl)amino]-2-oxoethyl]carbamate

C19H29N3O3 — CID 174493945

IUPACtert-butyl N-[2-[(4-imino-6-phenylhexan-2-yl)amino]-2-oxoethyl]carbamate
SMILES[H]/N=C(/CCc1ccccc1)CC(C)NC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C19H29N3O3/c1-14(12-16(20)11-10-15-8-6-5-7-9-15)22-17(23)13-21-18(24)25-19(2,3)4/h5-9,14,20H,10-13H2,1-4H3,(H,21,24)(H,22,23)/b20-16-
InChIKeyIAKLGEQXXGNHIR-SILNSSARSA-N
MW347.46 g/mol
LogP3.06
Rot. Bonds8

About tert-butyl N-[2-[(4-imino-6-phenylhexan-2-yl)amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[(4-imino-6-phenylhexan-2-yl)amino]-2-oxoethyl]carbamate (PubChem CID 174493945) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-imino-6-phenylhexan-2-yl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-imino-6-phenylhexan-2-yl)amino]-2-oxoethyl]carbamate
PubChem CID174493945
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Nametert-butyl N-[2-[(4-imino-6-phenylhexan-2-yl)amino]-2-oxoethyl]carbamate
SMILES[H]/N=C(/CCc1ccccc1)CC(C)NC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C19H29N3O3/c1-14(12-16(20)11-10-15-8-6-5-7-9-15)22-17(23)13-21-18(24)25-19(2,3)4/h5-9,14,20H,10-13H2,1-4H3,(H,21,24)(H,22,23)/b20-16-
InChIKeyIAKLGEQXXGNHIR-SILNSSARSA-N
XLogP3.06
TPSA91.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 108916974
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CID 14136105
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[3-(1,5-diphenylpentan-3-ylamino)-3-oxopropyl]carbamate
CID 130376749
2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11851409
tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine
CID 145259972
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
tert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate
CID 107253966
tert-butyl N-(3-hydroxy-5-oxo-7-phenylheptyl)carbamate
CID 134235525
tert-butyl N-[2-oxo-2-[[(2S)-1-oxo-1-(pentylamino)-3-phenylpropan-2-yl]amino]ethyl]carbamate
CID 71407834
tert-butyl N-[(5S)-8-(tert-butylamino)-4,8-dioxo-5-(3-phenylpropanoylamino)octyl]carbamate
CID 158606646
3-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]-2-(3-phenylpropanoylamino)propanoic acid
CID 166903677

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-imino-6-phenylhexan-2-yl)amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-imino-6-phenylhexan-2-yl)amino]-2-oxoethyl]carbamate (CID 174493945) is tert-butyl N-[2-[(4-imino-6-phenylhexan-2-yl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-imino-6-phenylhexan-2-yl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-imino-6-phenylhexan-2-yl)amino]-2-oxoethyl]carbamate is [H]/N=C(/CCc1ccccc1)CC(C)NC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(4-imino-6-phenylhexan-2-yl)amino]-2-oxoethyl]carbamate?
The InChIKey is IAKLGEQXXGNHIR-SILNSSARSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14(12-16(20)11-10-15-8-6-5-7-9-15)22-17(23)13-21-18(24)25-19(2,3)4/h5-9,14,20H,10-13H2,1-4H3,(H,21,24)(H,22,23)/b20-16-.
What are the key properties of tert-butyl N-[2-[(4-imino-6-phenylhexan-2-yl)amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[(4-imino-6-phenylhexan-2-yl)amino]-2-oxoethyl]carbamate has a molecular weight of 347.46 g/mol, XLogP of 3.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-imino-6-phenylhexan-2-yl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 174493945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).