N,N-diethyl-3-(heptylamino)propanamide

C14H30N2O — CID 54936007

IUPACN,N-diethyl-3-(heptylamino)propanamide
SMILESCCCCCCCNCCC(=O)N(CC)CC
InChIInChI=1S/C14H30N2O/c1-4-7-8-9-10-12-15-13-11-14(17)16(5-2)6-3/h15H,4-13H2,1-3H3
InChIKeyQHYOHBNNJUUOBP-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.80
Rot. Bonds11

About N,N-diethyl-3-(heptylamino)propanamide

N,N-diethyl-3-(heptylamino)propanamide (PubChem CID 54936007) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N,N-diethyl-3-(heptylamino)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(heptylamino)propanamide
PubChem CID54936007
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN,N-diethyl-3-(heptylamino)propanamide
SMILESCCCCCCCNCCC(=O)N(CC)CC
InChIInChI=1S/C14H30N2O/c1-4-7-8-9-10-12-15-13-11-14(17)16(5-2)6-3/h15H,4-13H2,1-3H3
InChIKeyQHYOHBNNJUUOBP-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-didecyl-8-(octylamino)octanamide
CID 172581253
3-[6-[2-carboxyethyl(tridecanoyl)amino]hexylamino]propanoic acid
CID 21328693
4-[[4-(dioctylamino)-4-oxobutyl]amino]-N,N-dioctylbutanamide
CID 164875605
N-ethyl-N-(ethylaminomethyl)octadecanamide
CID 22497363
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
12-(pentylamino)dodecanoic acid
CID 57245176
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
13-(hexylamino)tridecanoic acid
CID 21488721
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565
6-(decylamino)hexanamide
CID 13292350

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(heptylamino)propanamide?
The IUPAC name of N,N-diethyl-3-(heptylamino)propanamide (CID 54936007) is N,N-diethyl-3-(heptylamino)propanamide.
What is the SMILES notation for N,N-diethyl-3-(heptylamino)propanamide?
The canonical SMILES for N,N-diethyl-3-(heptylamino)propanamide is CCCCCCCNCCC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-3-(heptylamino)propanamide?
The InChIKey is QHYOHBNNJUUOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-7-8-9-10-12-15-13-11-14(17)16(5-2)6-3/h15H,4-13H2,1-3H3.
What are the key properties of N,N-diethyl-3-(heptylamino)propanamide?
N,N-diethyl-3-(heptylamino)propanamide has a molecular weight of 242.41 g/mol, XLogP of 2.80, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(heptylamino)propanamide is sourced from PubChem (CID 54936007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).