2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide

C11H23N3O2 — CID 43553504

IUPAC2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NCCC(N)=O
InChIInChI=1S/C11H23N3O2/c1-3-4-5-7-14-11(16)9(2)13-8-6-10(12)15/h9,13H,3-8H2,1-2H3,(H2,12,15)(H,14,16)
InChIKeyYXLNOZGEZQZJCD-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.15
Rot. Bonds9

About 2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide

2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide (PubChem CID 43553504) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide
PubChem CID43553504
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NCCC(N)=O
InChIInChI=1S/C11H23N3O2/c1-3-4-5-7-14-11(16)9(2)13-8-6-10(12)15/h9,13H,3-8H2,1-2H3,(H2,12,15)(H,14,16)
InChIKeyYXLNOZGEZQZJCD-UHFFFAOYSA-N
XLogP0.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.15
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

2-[[1-oxo-1-(pentylamino)propan-2-yl]amino]ethyl carbamate
CID 83210164
2-[(3-amino-3-oxopropyl)amino]-N-(2-methylpropyl)propanamide
CID 43553515
2-(3-methoxypropylamino)-N-pentylpropanamide
CID 43131874
2-[(2-amino-2-oxoethoxy)amino]-N-pentylpropanamide
CID 112673608
6-(octylcarbamoylamino)hexanamide
CID 11833003
N-(2-methoxyethyl)-2-(nonylamino)propanamide
CID 115574851
2-[(1-hydroxycyclopentyl)methylamino]-N-pentylpropanamide
CID 65109318
N'-dodecylbutanediamide
CID 19973702
methyl 2-(octylamino)propanoate
CID 60780709
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
N'-octylhexanediamide
CID 18377759
22-(docosanoylamino)docosanamide
CID 90926402

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide?
The IUPAC name of 2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide (CID 43553504) is 2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide.
What is the SMILES notation for 2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide?
The canonical SMILES for 2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide is CCCCCNC(=O)C(C)NCCC(N)=O.
What is the InChIKey of 2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide?
The InChIKey is YXLNOZGEZQZJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-4-5-7-14-11(16)9(2)13-8-6-10(12)15/h9,13H,3-8H2,1-2H3,(H2,12,15)(H,14,16).
What are the key properties of 2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide?
2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide has a molecular weight of 229.32 g/mol, XLogP of 0.15, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide is sourced from PubChem (CID 43553504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).