acetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide

C16H34N4O4 — CID 54606253

IUPACacetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide
SMILESCC(=O)O.NCC(=O)NCCCCCCCCCCNC(=O)CN
InChIInChI=1S/C14H30N4O2.C2H4O2/c15-11-13(19)17-9-7-5-3-1-2-4-6-8-10-18-14(20)12-16;1-2(3)4/h1-12,15-16H2,(H,17,19)(H,18,20);1H3,(H,3,4)
InChIKeyCTUBYGYYJYNLPA-UHFFFAOYSA-N
MW346.47 g/mol
LogP0.35
Rot. Bonds13

About acetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide

acetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide (PubChem CID 54606253) has the molecular formula C16H34N4O4 and a molecular weight of 346.47 g/mol. Its IUPAC name is acetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide.

Molecular Properties

Compound Nameacetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide
PubChem CID54606253
Molecular FormulaC16H34N4O4
Molecular Weight346.47 g/mol
Exact Mass346.26
IUPAC Nameacetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide
SMILESCC(=O)O.NCC(=O)NCCCCCCCCCCNC(=O)CN
InChIInChI=1S/C14H30N4O2.C2H4O2/c15-11-13(19)17-9-7-5-3-1-2-4-6-8-10-18-14(20)12-16;1-2(3)4/h1-12,15-16H2,(H,17,19)(H,18,20);1H3,(H,3,4)
InChIKeyCTUBYGYYJYNLPA-UHFFFAOYSA-N
XLogP0.35
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 50.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[8-(methylamino)octyl]acetamide
CID 154671547
6-[(2-aminoacetyl)amino]hexanoic acid;methane
CID 144591322
2-amino-N-[8-(propan-2-ylamino)octyl]acetamide
CID 154670935
N-[5-[(2-aminoacetyl)amino]pentyl]-2-tert-butyl-3,3-dimethylbutanamide
CID 130333097
2-amino-N-[(6R)-6-[(2-aminoacetyl)amino]octyl]acetamide
CID 160835672
6-[(2-aminoacetyl)amino]-N-(2-oxoethyl)hexanamide
CID 91393325
acetic acid;N-octylhexacosanamide
CID 175173130
4-[(2-aminoacetyl)amino]-N-ethylbutanamide
CID 138468390
2-amino-N-(3-cyanopropyl)acetamide
CID 62666255
5-amino-N-(11-oxododecyl)pentanamide
CID 171093439
tert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate
CID 23591745
2-amino-N-[3-(dipropylamino)propyl]acetamide
CID 119861226

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide?
The IUPAC name of acetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide (CID 54606253) is acetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide.
What is the SMILES notation for acetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide?
The canonical SMILES for acetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide is CC(=O)O.NCC(=O)NCCCCCCCCCCNC(=O)CN.
What is the InChIKey of acetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide?
The InChIKey is CTUBYGYYJYNLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2.C2H4O2/c15-11-13(19)17-9-7-5-3-1-2-4-6-8-10-18-14(20)12-16;1-2(3)4/h1-12,15-16H2,(H,17,19)(H,18,20);1H3,(H,3,4).
What are the key properties of acetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide?
acetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide has a molecular weight of 346.47 g/mol, XLogP of 0.35, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-amino-N-[10-[(2-aminoacetyl)amino]decyl]acetamide is sourced from PubChem (CID 54606253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).