benzyl N-[1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate

C24H33N3O3 — CID 4320436

IUPACbenzyl N-[1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCCC(C)C(NC(=O)OCc1ccccc1)C(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C24H33N3O3/c1-5-18(2)22(26-24(29)30-17-19-12-8-6-9-13-19)23(28)25-16-21(27(3)4)20-14-10-7-11-15-20/h6-15,18,21-22H,5,16-17H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyALCGUZLBKILMTQ-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.75
Rot. Bonds10

About benzyl N-[1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate

benzyl N-[1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 4320436) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is benzyl N-[1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
PubChem CID4320436
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Namebenzyl N-[1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCCC(C)C(NC(=O)OCc1ccccc1)C(=O)NCC(c1ccccc1)N(C)C
InChIInChI=1S/C24H33N3O3/c1-5-18(2)22(26-24(29)30-17-19-12-8-6-9-13-19)23(28)25-16-21(27(3)4)20-14-10-7-11-15-20/h6-15,18,21-22H,5,16-17H2,1-4H3,(H,25,28)(H,26,29)
InChIKeyALCGUZLBKILMTQ-UHFFFAOYSA-N
XLogP3.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

MG-132
CID 462382
Mdl-28170
CID 72430
Calpeptin
CID 73364
Mdl 201053
CID 122019
Carbobenzoxycarbonyl-phenylalanyl-alaninyldiazomethane
CID 155664
MG-262
CID 490002
Dibenzyl (carbonylbis(2,1-hydrazinediyl((2S)-4-methyl-1-oxo-1,2-pentanediyl)))biscarbamate
CID 5288634
AK 295
CID 183798
MG-115
CID 9868928
Carbobenzoxy-phenylalanyl(p)-leucyl-alanine
CID 5492587
aza-peptide Michael acceptor, 5i
CID 11444450
Tl-3-093
CID 444425

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate (CID 4320436) is benzyl N-[1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate is CCC(C)C(NC(=O)OCc1ccccc1)C(=O)NCC(c1ccccc1)N(C)C.
What is the InChIKey of benzyl N-[1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is ALCGUZLBKILMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-5-18(2)22(26-24(29)30-17-19-12-8-6-9-13-19)23(28)25-16-21(27(3)4)20-14-10-7-11-15-20/h6-15,18,21-22H,5,16-17H2,1-4H3,(H,25,28)(H,26,29).
What are the key properties of benzyl N-[1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate?
benzyl N-[1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 411.55 g/mol, XLogP of 3.75, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[[2-(dimethylamino)-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 4320436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).