N-dodecan-2-yl-3-[2-(methylamino)ethylamino]propanamide

C18H39N3O — CID 89162924

IUPACN-dodecan-2-yl-3-[2-(methylamino)ethylamino]propanamide
SMILESCCCCCCCCCCC(C)NC(=O)CCNCCNC
InChIInChI=1S/C18H39N3O/c1-4-5-6-7-8-9-10-11-12-17(2)21-18(22)13-14-20-16-15-19-3/h17,19-20H,4-16H2,1-3H3,(H,21,22)
InChIKeyXHJRFJFXRZGIEL-UHFFFAOYSA-N
MW313.53 g/mol
LogP3.22
Rot. Bonds16

About N-dodecan-2-yl-3-[2-(methylamino)ethylamino]propanamide

N-dodecan-2-yl-3-[2-(methylamino)ethylamino]propanamide (PubChem CID 89162924) has the molecular formula C18H39N3O and a molecular weight of 313.53 g/mol. Its IUPAC name is N-dodecan-2-yl-3-[2-(methylamino)ethylamino]propanamide.

Molecular Properties

Compound NameN-dodecan-2-yl-3-[2-(methylamino)ethylamino]propanamide
PubChem CID89162924
Molecular FormulaC18H39N3O
Molecular Weight313.53 g/mol
Exact Mass313.31
IUPAC NameN-dodecan-2-yl-3-[2-(methylamino)ethylamino]propanamide
SMILESCCCCCCCCCCC(C)NC(=O)CCNCCNC
InChIInChI=1S/C18H39N3O/c1-4-5-6-7-8-9-10-11-12-17(2)21-18(22)13-14-20-16-15-19-3/h17,19-20H,4-16H2,1-3H3,(H,21,22)
InChIKeyXHJRFJFXRZGIEL-UHFFFAOYSA-N
XLogP3.22
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 53.22
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

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CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-[4-(methylaminomethylamino)butan-2-yl]hexadecanamide
CID 91505971
N-dodecan-2-ylpropanamide
CID 174988669
2-chloro-N-[(2R)-octan-2-yl]acetamide
CID 7131842
N-pentan-2-ylundecanamide
CID 173258559
4-acetamido-N-octan-2-ylbutanamide
CID 90319898
N-(6-aminohexan-2-yl)octanamide
CID 123172105
3-[3-[2-hydroxyethyl(2-methoxyethyl)amino]propylamino]-N-pentadecan-2-ylpropanamide
CID 89162835
N-hexan-2-ylbutanamide
CID 64592038
3-[2-[2-[2-aminoethyl-[3-(dodecan-2-ylamino)-3-oxopropyl]amino]ethylamino]ethyl-[3-(dodecan-2-ylamino)-3-oxopropyl]amino]-N-methylpropanamide
CID 88673589
5-amino-N-heptan-2-yl-4-methylpentanamide
CID 82012192

Frequently Asked Questions

What is the IUPAC name of N-dodecan-2-yl-3-[2-(methylamino)ethylamino]propanamide?
The IUPAC name of N-dodecan-2-yl-3-[2-(methylamino)ethylamino]propanamide (CID 89162924) is N-dodecan-2-yl-3-[2-(methylamino)ethylamino]propanamide.
What is the SMILES notation for N-dodecan-2-yl-3-[2-(methylamino)ethylamino]propanamide?
The canonical SMILES for N-dodecan-2-yl-3-[2-(methylamino)ethylamino]propanamide is CCCCCCCCCCC(C)NC(=O)CCNCCNC.
What is the InChIKey of N-dodecan-2-yl-3-[2-(methylamino)ethylamino]propanamide?
The InChIKey is XHJRFJFXRZGIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3O/c1-4-5-6-7-8-9-10-11-12-17(2)21-18(22)13-14-20-16-15-19-3/h17,19-20H,4-16H2,1-3H3,(H,21,22).
What are the key properties of N-dodecan-2-yl-3-[2-(methylamino)ethylamino]propanamide?
N-dodecan-2-yl-3-[2-(methylamino)ethylamino]propanamide has a molecular weight of 313.53 g/mol, XLogP of 3.22, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecan-2-yl-3-[2-(methylamino)ethylamino]propanamide is sourced from PubChem (CID 89162924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).