tert-butyl N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]-4-methylpentan-2-yl]carbamate

C21H35N3O3 — CID 110627490

IUPACtert-butyl N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]-4-methylpentan-2-yl]carbamate
SMILESCC(C)CC(CNC(=O)C(c1ccccc1)N(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C21H35N3O3/c1-15(2)13-17(23-20(26)27-21(3,4)5)14-22-19(25)18(24(6)7)16-11-9-8-10-12-16/h8-12,15,17-18H,13-14H2,1-7H3,(H,22,25)(H,23,26)
InChIKeyHEPSGHGAVXFQGG-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.34
Rot. Bonds8

About tert-butyl N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]-4-methylpentan-2-yl]carbamate

tert-butyl N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]-4-methylpentan-2-yl]carbamate (PubChem CID 110627490) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is tert-butyl N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]-4-methylpentan-2-yl]carbamate
PubChem CID110627490
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Nametert-butyl N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]-4-methylpentan-2-yl]carbamate
SMILESCC(C)CC(CNC(=O)C(c1ccccc1)N(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C21H35N3O3/c1-15(2)13-17(23-20(26)27-21(3,4)5)14-22-19(25)18(24(6)7)16-11-9-8-10-12-16/h8-12,15,17-18H,13-14H2,1-7H3,(H,22,25)(H,23,26)
InChIKeyHEPSGHGAVXFQGG-UHFFFAOYSA-N
XLogP3.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate
CID 110288491
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
tert-butyl N-[(2S)-4-methyl-1-(3-phenoxypropanoylamino)pentan-2-yl]carbamate
CID 110288498
tert-butyl N-[1-[[2-(benzylamino)-2-oxo-1-phenylethyl]-methylamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 18043589
tert-butyl N-[(3R)-5-methyl-1-phenylhexan-3-yl]carbamate
CID 102586940
tert-butyl N-[2-(2-methylpropylamino)-2-oxo-1-phenylethyl]carbamate
CID 110406811
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-[1-[cyanomethyl-[2-oxo-2-(pentylamino)-1-phenylethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 18044442
tert-butyl N-[1-[[2-(butylamino)-2-oxo-1-phenylethyl]-(2-methylcyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 18046435
(2S)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]-3-phenylpropanoic acid
CID 2756019
tert-butyl N-[1-[[2-(ethoxycarbonylamino)-4-methylpentyl]amino]-1-oxopropan-2-yl]carbamate
CID 55654792
tert-butyl N-[1-[(4-chlorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 20814870

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]-4-methylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]-4-methylpentan-2-yl]carbamate (CID 110627490) is tert-butyl N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]-4-methylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]-4-methylpentan-2-yl]carbamate is CC(C)CC(CNC(=O)C(c1ccccc1)N(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]-4-methylpentan-2-yl]carbamate?
The InChIKey is HEPSGHGAVXFQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-15(2)13-17(23-20(26)27-21(3,4)5)14-22-19(25)18(24(6)7)16-11-9-8-10-12-16/h8-12,15,17-18H,13-14H2,1-7H3,(H,22,25)(H,23,26).
What are the key properties of tert-butyl N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]-4-methylpentan-2-yl]carbamate?
tert-butyl N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]-4-methylpentan-2-yl]carbamate has a molecular weight of 377.53 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 110627490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).