N-[4-[(dimethylamino)methyl]phenyl]-3-(ethylamino)propanamide

C14H23N3O — CID 62833947

IUPACN-[4-[(dimethylamino)methyl]phenyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1ccc(CN(C)C)cc1
InChIInChI=1S/C14H23N3O/c1-4-15-10-9-14(18)16-13-7-5-12(6-8-13)11-17(2)3/h5-8,15H,4,9-11H2,1-3H3,(H,16,18)
InChIKeyDTRUVCXLMNNFGI-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.69
Rot. Bonds7

About N-[4-[(dimethylamino)methyl]phenyl]-3-(ethylamino)propanamide

N-[4-[(dimethylamino)methyl]phenyl]-3-(ethylamino)propanamide (PubChem CID 62833947) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[4-[(dimethylamino)methyl]phenyl]-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-[4-[(dimethylamino)methyl]phenyl]-3-(ethylamino)propanamide
PubChem CID62833947
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[4-[(dimethylamino)methyl]phenyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1ccc(CN(C)C)cc1
InChIInChI=1S/C14H23N3O/c1-4-15-10-9-14(18)16-13-7-5-12(6-8-13)11-17(2)3/h5-8,15H,4,9-11H2,1-3H3,(H,16,18)
InChIKeyDTRUVCXLMNNFGI-UHFFFAOYSA-N
XLogP1.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide
CID 62832499
2-[4-[3-(ethylamino)propanoylamino]phenyl]acetic acid
CID 62835723
4-[4-[(dimethylamino)methyl]anilino]-4-oxobutanoic acid
CID 54868215
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288
methyl N-[4-[3-(ethylamino)propanoylamino]phenyl]carbamate
CID 62831983
3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 62834910
4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide
CID 62835672
3-(ethylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide
CID 62832181
3-(ethylamino)-N-[4-(triazol-2-yl)phenyl]propanamide
CID 62832692
4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide
CID 62833618
2-amino-N-[2-[4-[(dimethylamino)methyl]anilino]-2-oxoethyl]acetamide
CID 54928469
3-(ethylamino)-N-naphthalen-2-ylpropanamide
CID 62833227

Frequently Asked Questions

What is the IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]-3-(ethylamino)propanamide?
The IUPAC name of N-[4-[(dimethylamino)methyl]phenyl]-3-(ethylamino)propanamide (CID 62833947) is N-[4-[(dimethylamino)methyl]phenyl]-3-(ethylamino)propanamide.
What is the SMILES notation for N-[4-[(dimethylamino)methyl]phenyl]-3-(ethylamino)propanamide?
The canonical SMILES for N-[4-[(dimethylamino)methyl]phenyl]-3-(ethylamino)propanamide is CCNCCC(=O)Nc1ccc(CN(C)C)cc1.
What is the InChIKey of N-[4-[(dimethylamino)methyl]phenyl]-3-(ethylamino)propanamide?
The InChIKey is DTRUVCXLMNNFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-15-10-9-14(18)16-13-7-5-12(6-8-13)11-17(2)3/h5-8,15H,4,9-11H2,1-3H3,(H,16,18).
What are the key properties of N-[4-[(dimethylamino)methyl]phenyl]-3-(ethylamino)propanamide?
N-[4-[(dimethylamino)methyl]phenyl]-3-(ethylamino)propanamide has a molecular weight of 249.36 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dimethylamino)methyl]phenyl]-3-(ethylamino)propanamide is sourced from PubChem (CID 62833947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).