N-[3-(4-aminobutylamino)propyl]-2-(2-decanoylhydrazinyl)acetamide

C19H41N5O2 — CID 87957327

IUPACN-[3-(4-aminobutylamino)propyl]-2-(2-decanoylhydrazinyl)acetamide
SMILESCCCCCCCCCC(=O)NNCC(=O)NCCCNCCCCN
InChIInChI=1S/C19H41N5O2/c1-2-3-4-5-6-7-8-12-18(25)24-23-17-19(26)22-16-11-15-21-14-10-9-13-20/h21,23H,2-17,20H2,1H3,(H,22,26)(H,24,25)
InChIKeyQEFFVQAONJTZQC-UHFFFAOYSA-N
MW371.57 g/mol
LogP1.58
Rot. Bonds19

About N-[3-(4-aminobutylamino)propyl]-2-(2-decanoylhydrazinyl)acetamide

N-[3-(4-aminobutylamino)propyl]-2-(2-decanoylhydrazinyl)acetamide (PubChem CID 87957327) has the molecular formula C19H41N5O2 and a molecular weight of 371.57 g/mol. Its IUPAC name is N-[3-(4-aminobutylamino)propyl]-2-(2-decanoylhydrazinyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-aminobutylamino)propyl]-2-(2-decanoylhydrazinyl)acetamide
PubChem CID87957327
Molecular FormulaC19H41N5O2
Molecular Weight371.57 g/mol
Exact Mass371.33
IUPAC NameN-[3-(4-aminobutylamino)propyl]-2-(2-decanoylhydrazinyl)acetamide
SMILESCCCCCCCCCC(=O)NNCC(=O)NCCCNCCCCN
InChIInChI=1S/C19H41N5O2/c1-2-3-4-5-6-7-8-12-18(25)24-23-17-19(26)22-16-11-15-21-14-10-9-13-20/h21,23H,2-17,20H2,1H3,(H,22,26)(H,24,25)
InChIKeyQEFFVQAONJTZQC-UHFFFAOYSA-N
XLogP1.58
TPSA108.28 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 51.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-(4-aminobutylamino)propyl]octadec-9-enamide
CID 6366527
N-[2-(5-aminopentylamino)-2-oxoethyl]-4-(octadecylamino)butanamide
CID 11699408
N-(4-aminobutyl)tetracosanamide
CID 171117181
N-(6-aminohexyl)dodecanamide
CID 13030555
N-(9-aminononyl)nonanamide
CID 154091260
(Z)-N-[3-[4-(3-aminopropylamino)butylamino]propyl]octadec-9-enamide
CID 10819608
5-amino-N-dodecylpentanamide;hydrochloride
CID 135363918
6-amino-N-pentylhexanamide;hydrochloride
CID 51041459
(Z)-N-(4-aminobutyl)pentadec-9-enamide
CID 171117158
7-amino-N-butylheptanamide
CID 24689519
6-amino-N-butylhexanamide
CID 14914743
N-[3-[3-[4-[3-(5-oxotridecylamino)propylamino]butylamino]propylamino]propyl]nonanamide
CID 24992297

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminobutylamino)propyl]-2-(2-decanoylhydrazinyl)acetamide?
The IUPAC name of N-[3-(4-aminobutylamino)propyl]-2-(2-decanoylhydrazinyl)acetamide (CID 87957327) is N-[3-(4-aminobutylamino)propyl]-2-(2-decanoylhydrazinyl)acetamide.
What is the SMILES notation for N-[3-(4-aminobutylamino)propyl]-2-(2-decanoylhydrazinyl)acetamide?
The canonical SMILES for N-[3-(4-aminobutylamino)propyl]-2-(2-decanoylhydrazinyl)acetamide is CCCCCCCCCC(=O)NNCC(=O)NCCCNCCCCN.
What is the InChIKey of N-[3-(4-aminobutylamino)propyl]-2-(2-decanoylhydrazinyl)acetamide?
The InChIKey is QEFFVQAONJTZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N5O2/c1-2-3-4-5-6-7-8-12-18(25)24-23-17-19(26)22-16-11-15-21-14-10-9-13-20/h21,23H,2-17,20H2,1H3,(H,22,26)(H,24,25).
What are the key properties of N-[3-(4-aminobutylamino)propyl]-2-(2-decanoylhydrazinyl)acetamide?
N-[3-(4-aminobutylamino)propyl]-2-(2-decanoylhydrazinyl)acetamide has a molecular weight of 371.57 g/mol, XLogP of 1.58, 19 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminobutylamino)propyl]-2-(2-decanoylhydrazinyl)acetamide is sourced from PubChem (CID 87957327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).