3-(7-aminoheptanoylamino)-N-ethylpyrrolidine-1-carboxamide

C14H28N4O2 — CID 119820641

IUPAC3-(7-aminoheptanoylamino)-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)CCCCCCN)C1
InChIInChI=1S/C14H28N4O2/c1-2-16-14(20)18-10-8-12(11-18)17-13(19)7-5-3-4-6-9-15/h12H,2-11,15H2,1H3,(H,16,20)(H,17,19)
InChIKeyZTALRXITAHXZBN-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.82
Rot. Bonds8

About 3-(7-aminoheptanoylamino)-N-ethylpyrrolidine-1-carboxamide

3-(7-aminoheptanoylamino)-N-ethylpyrrolidine-1-carboxamide (PubChem CID 119820641) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-(7-aminoheptanoylamino)-N-ethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(7-aminoheptanoylamino)-N-ethylpyrrolidine-1-carboxamide
PubChem CID119820641
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name3-(7-aminoheptanoylamino)-N-ethylpyrrolidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(=O)CCCCCCN)C1
InChIInChI=1S/C14H28N4O2/c1-2-16-14(20)18-10-8-12(11-18)17-13(19)7-5-3-4-6-9-15/h12H,2-11,15H2,1H3,(H,16,20)(H,17,19)
InChIKeyZTALRXITAHXZBN-UHFFFAOYSA-N
XLogP0.82
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-6-amino-1-(3-butyl-2,4-dioxoimidazolidin-1-yl)hexan-2-yl]hexadecanamide
CID 137631342
N-[(2S)-6-amino-1-(3-butyl-2,4-dioxoimidazolidin-1-yl)hexan-2-yl]dodecanamide
CID 137637378
N-[(2S)-6-amino-1-(3-cyclohexyl-2,4-dioxoimidazolidin-1-yl)hexan-2-yl]decanamide
CID 137643666
N-[(2S)-6-amino-1-(3-ethyl-2,4-dioxoimidazolidin-1-yl)hexan-2-yl]tetradecanamide
CID 137644137
N-[(2S)-6-amino-1-(3-cyclohexyl-2,4-dioxoimidazolidin-1-yl)hexan-2-yl]tetradecanamide
CID 137647586
N-[(2S)-6-amino-1-(3-cyclohexyl-2,4-dioxoimidazolidin-1-yl)hexan-2-yl]hexadecanamide
CID 137648740
N-[(2S)-6-amino-1-(3-butyl-2,4-dioxoimidazolidin-1-yl)hexan-2-yl]decanamide
CID 137650348
N-[(2S)-6-amino-1-(3-ethyl-2,4-dioxoimidazolidin-1-yl)hexan-2-yl]decanamide
CID 137652872
N-[(2S)-6-amino-1-(3-butyl-2,4-dioxoimidazolidin-1-yl)hexan-2-yl]tetradecanamide
CID 137654411
N-[(2S)-6-amino-1-(3-ethyl-2,4-dioxoimidazolidin-1-yl)hexan-2-yl]dodecanamide
CID 137657264
N-[(2S)-6-amino-1-(3-cyclohexyl-2,4-dioxoimidazolidin-1-yl)hexan-2-yl]dodecanamide
CID 137658551
N-[(2S)-6-amino-1-(3-ethyl-2,4-dioxoimidazolidin-1-yl)hexan-2-yl]hexadecanamide
CID 137661101

Frequently Asked Questions

What is the IUPAC name of 3-(7-aminoheptanoylamino)-N-ethylpyrrolidine-1-carboxamide?
The IUPAC name of 3-(7-aminoheptanoylamino)-N-ethylpyrrolidine-1-carboxamide (CID 119820641) is 3-(7-aminoheptanoylamino)-N-ethylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(7-aminoheptanoylamino)-N-ethylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-(7-aminoheptanoylamino)-N-ethylpyrrolidine-1-carboxamide is CCNC(=O)N1CCC(NC(=O)CCCCCCN)C1.
What is the InChIKey of 3-(7-aminoheptanoylamino)-N-ethylpyrrolidine-1-carboxamide?
The InChIKey is ZTALRXITAHXZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-2-16-14(20)18-10-8-12(11-18)17-13(19)7-5-3-4-6-9-15/h12H,2-11,15H2,1H3,(H,16,20)(H,17,19).
What are the key properties of 3-(7-aminoheptanoylamino)-N-ethylpyrrolidine-1-carboxamide?
3-(7-aminoheptanoylamino)-N-ethylpyrrolidine-1-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 0.82, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-aminoheptanoylamino)-N-ethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 119820641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).