N-[5-[(2-azidoacetyl)amino]pentyl]-4-ethyl-N',N',2,2,4-pentamethylpentanediamide

C19H36N6O3 — CID 163966524

IUPACN-[5-[(2-azidoacetyl)amino]pentyl]-4-ethyl-N',N',2,2,4-pentamethylpentanediamide
SMILESCCC(C)(CC(C)(C)C(=O)NCCCCCNC(=O)CN=[N+]=[N-])C(=O)N(C)C
InChIInChI=1S/C19H36N6O3/c1-7-19(4,17(28)25(5)6)14-18(2,3)16(27)22-12-10-8-9-11-21-15(26)13-23-24-20/h7-14H2,1-6H3,(H,21,26)(H,22,27)
InChIKeySMGRDVOFUINPOK-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.62
Rot. Bonds13

About N-[5-[(2-azidoacetyl)amino]pentyl]-4-ethyl-N',N',2,2,4-pentamethylpentanediamide

N-[5-[(2-azidoacetyl)amino]pentyl]-4-ethyl-N',N',2,2,4-pentamethylpentanediamide (PubChem CID 163966524) has the molecular formula C19H36N6O3 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[5-[(2-azidoacetyl)amino]pentyl]-4-ethyl-N',N',2,2,4-pentamethylpentanediamide.

Molecular Properties

Compound NameN-[5-[(2-azidoacetyl)amino]pentyl]-4-ethyl-N',N',2,2,4-pentamethylpentanediamide
PubChem CID163966524
Molecular FormulaC19H36N6O3
Molecular Weight396.54 g/mol
Exact Mass396.28
IUPAC NameN-[5-[(2-azidoacetyl)amino]pentyl]-4-ethyl-N',N',2,2,4-pentamethylpentanediamide
SMILESCCC(C)(CC(C)(C)C(=O)NCCCCCNC(=O)CN=[N+]=[N-])C(=O)N(C)C
InChIInChI=1S/C19H36N6O3/c1-7-19(4,17(28)25(5)6)14-18(2,3)16(27)22-12-10-8-9-11-21-15(26)13-23-24-20/h7-14H2,1-6H3,(H,21,26)(H,22,27)
InChIKeySMGRDVOFUINPOK-UHFFFAOYSA-N
XLogP2.62
TPSA127.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-azido-N-octylacetamide
CID 91620085
N-[5-[(2-azidoacetyl)amino]pentyl]-2-methylbutanamide
CID 153280143
N-(4-aminobutyl)-2-azidoacetamide
CID 137350213
CID 140772079
CID 140772079
2-azido-N-[5-(prop-2-enylamino)pentyl]acetamide
CID 167167902
N-(2-acetamidoethyl)-2-azidoacetamide
CID 61374382
2,2,4,4-tetramethyl-N-octylhexanamide
CID 178052018
N-(4-azidobutyl)heptanamide
CID 106386394
methyl (2S)-2-amino-6-[(2-azidoacetyl)amino]hexanoate
CID 118655343
4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide
CID 129136804
6-[(2-azidoacetyl)amino]hexyl methyl phosphate
CID 59620616
tert-butyl N-[2-[[2-[2-[(2-azidoacetyl)amino]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 155318155

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-azidoacetyl)amino]pentyl]-4-ethyl-N',N',2,2,4-pentamethylpentanediamide?
The IUPAC name of N-[5-[(2-azidoacetyl)amino]pentyl]-4-ethyl-N',N',2,2,4-pentamethylpentanediamide (CID 163966524) is N-[5-[(2-azidoacetyl)amino]pentyl]-4-ethyl-N',N',2,2,4-pentamethylpentanediamide.
What is the SMILES notation for N-[5-[(2-azidoacetyl)amino]pentyl]-4-ethyl-N',N',2,2,4-pentamethylpentanediamide?
The canonical SMILES for N-[5-[(2-azidoacetyl)amino]pentyl]-4-ethyl-N',N',2,2,4-pentamethylpentanediamide is CCC(C)(CC(C)(C)C(=O)NCCCCCNC(=O)CN=[N+]=[N-])C(=O)N(C)C.
What is the InChIKey of N-[5-[(2-azidoacetyl)amino]pentyl]-4-ethyl-N',N',2,2,4-pentamethylpentanediamide?
The InChIKey is SMGRDVOFUINPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N6O3/c1-7-19(4,17(28)25(5)6)14-18(2,3)16(27)22-12-10-8-9-11-21-15(26)13-23-24-20/h7-14H2,1-6H3,(H,21,26)(H,22,27).
What are the key properties of N-[5-[(2-azidoacetyl)amino]pentyl]-4-ethyl-N',N',2,2,4-pentamethylpentanediamide?
N-[5-[(2-azidoacetyl)amino]pentyl]-4-ethyl-N',N',2,2,4-pentamethylpentanediamide has a molecular weight of 396.54 g/mol, XLogP of 2.62, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-azidoacetyl)amino]pentyl]-4-ethyl-N',N',2,2,4-pentamethylpentanediamide is sourced from PubChem (CID 163966524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).