N-ethyl-N-heptan-2-yl-3-phenylpropanamide

C18H29NO — CID 91696189

IUPACN-ethyl-N-heptan-2-yl-3-phenylpropanamide
SMILESCCCCCC(C)N(CC)C(=O)CCc1ccccc1
InChIInChI=1S/C18H29NO/c1-4-6-8-11-16(3)19(5-2)18(20)15-14-17-12-9-7-10-13-17/h7,9-10,12-13,16H,4-6,8,11,14-15H2,1-3H3
InChIKeySNUPGCCRORSLOI-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.44
Rot. Bonds9

About N-ethyl-N-heptan-2-yl-3-phenylpropanamide

N-ethyl-N-heptan-2-yl-3-phenylpropanamide (PubChem CID 91696189) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-ethyl-N-heptan-2-yl-3-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-heptan-2-yl-3-phenylpropanamide
PubChem CID91696189
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-ethyl-N-heptan-2-yl-3-phenylpropanamide
SMILESCCCCCC(C)N(CC)C(=O)CCc1ccccc1
InChIInChI=1S/C18H29NO/c1-4-6-8-11-16(3)19(5-2)18(20)15-14-17-12-9-7-10-13-17/h7,9-10,12-13,16H,4-6,8,11,14-15H2,1-3H3
InChIKeySNUPGCCRORSLOI-UHFFFAOYSA-N
XLogP4.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-heptan-2-yl-3-phenylpropanamide?
The IUPAC name of N-ethyl-N-heptan-2-yl-3-phenylpropanamide (CID 91696189) is N-ethyl-N-heptan-2-yl-3-phenylpropanamide.
What is the SMILES notation for N-ethyl-N-heptan-2-yl-3-phenylpropanamide?
The canonical SMILES for N-ethyl-N-heptan-2-yl-3-phenylpropanamide is CCCCCC(C)N(CC)C(=O)CCc1ccccc1.
What is the InChIKey of N-ethyl-N-heptan-2-yl-3-phenylpropanamide?
The InChIKey is SNUPGCCRORSLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-6-8-11-16(3)19(5-2)18(20)15-14-17-12-9-7-10-13-17/h7,9-10,12-13,16H,4-6,8,11,14-15H2,1-3H3.
What are the key properties of N-ethyl-N-heptan-2-yl-3-phenylpropanamide?
N-ethyl-N-heptan-2-yl-3-phenylpropanamide has a molecular weight of 275.44 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-heptan-2-yl-3-phenylpropanamide is sourced from PubChem (CID 91696189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).