tert-butyl N-[(2R)-5-[2-(diethylamino)ethylamino]-5-oxo-1-phenylpentan-2-yl]carbamate

C22H37N3O3 — CID 69432216

IUPACtert-butyl N-[(2R)-5-[2-(diethylamino)ethylamino]-5-oxo-1-phenylpentan-2-yl]carbamate
SMILESCCN(CC)CCNC(=O)CC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C22H37N3O3/c1-6-25(7-2)16-15-23-20(26)14-13-19(17-18-11-9-8-10-12-18)24-21(27)28-22(3,4)5/h8-12,19H,6-7,13-17H2,1-5H3,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyZQHRRQPVUMKHIT-LJQANCHMSA-N
MW391.56 g/mol
LogP3.36
Rot. Bonds11

About tert-butyl N-[(2R)-5-[2-(diethylamino)ethylamino]-5-oxo-1-phenylpentan-2-yl]carbamate

tert-butyl N-[(2R)-5-[2-(diethylamino)ethylamino]-5-oxo-1-phenylpentan-2-yl]carbamate (PubChem CID 69432216) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is tert-butyl N-[(2R)-5-[2-(diethylamino)ethylamino]-5-oxo-1-phenylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-5-[2-(diethylamino)ethylamino]-5-oxo-1-phenylpentan-2-yl]carbamate
PubChem CID69432216
Molecular FormulaC22H37N3O3
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC Nametert-butyl N-[(2R)-5-[2-(diethylamino)ethylamino]-5-oxo-1-phenylpentan-2-yl]carbamate
SMILESCCN(CC)CCNC(=O)CC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C22H37N3O3/c1-6-25(7-2)16-15-23-20(26)14-13-19(17-18-11-9-8-10-12-18)24-21(27)28-22(3,4)5/h8-12,19H,6-7,13-17H2,1-5H3,(H,23,26)(H,24,27)/t19-/m1/s1
InChIKeyZQHRRQPVUMKHIT-LJQANCHMSA-N
XLogP3.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid
CID 122210174
tert-butyl N-(5-amino-5-oxo-1-phenylpentan-2-yl)carbamate
CID 175023120
tert-butyl N-[4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate
CID 76601807
tert-butyl N-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]selanyl-3-phenylpropan-2-yl]carbamate
CID 102155876
tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate
CID 57094161
tert-butyl N-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]carbamate
CID 142063959
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
tert-butyl N-[1-[ethyl-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propyl]amino]-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 66639728
(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 118431287
tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate
CID 162715602
N'-[2-(diethylamino)ethyl]-N-(2-phenylethyl)butanediamide
CID 51362720
[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid
CID 69442567

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-5-[2-(diethylamino)ethylamino]-5-oxo-1-phenylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-5-[2-(diethylamino)ethylamino]-5-oxo-1-phenylpentan-2-yl]carbamate (CID 69432216) is tert-butyl N-[(2R)-5-[2-(diethylamino)ethylamino]-5-oxo-1-phenylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-5-[2-(diethylamino)ethylamino]-5-oxo-1-phenylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-5-[2-(diethylamino)ethylamino]-5-oxo-1-phenylpentan-2-yl]carbamate is CCN(CC)CCNC(=O)CC[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-5-[2-(diethylamino)ethylamino]-5-oxo-1-phenylpentan-2-yl]carbamate?
The InChIKey is ZQHRRQPVUMKHIT-LJQANCHMSA-N. The full InChI is InChI=1S/C22H37N3O3/c1-6-25(7-2)16-15-23-20(26)14-13-19(17-18-11-9-8-10-12-18)24-21(27)28-22(3,4)5/h8-12,19H,6-7,13-17H2,1-5H3,(H,23,26)(H,24,27)/t19-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-5-[2-(diethylamino)ethylamino]-5-oxo-1-phenylpentan-2-yl]carbamate?
tert-butyl N-[(2R)-5-[2-(diethylamino)ethylamino]-5-oxo-1-phenylpentan-2-yl]carbamate has a molecular weight of 391.56 g/mol, XLogP of 3.36, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-5-[2-(diethylamino)ethylamino]-5-oxo-1-phenylpentan-2-yl]carbamate is sourced from PubChem (CID 69432216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).