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

C13H21N3O — CID 62832499

IUPACN-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C13H21N3O/c1-4-14-10-9-13(17)15-11-5-7-12(8-6-11)16(2)3/h5-8,14H,4,9-10H2,1-3H3,(H,15,17)
InChIKeyDJXLXNVBGPMFLB-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.69
Rot. Bonds6

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

N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide (PubChem CID 62832499) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide
PubChem CID62832499
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C13H21N3O/c1-4-14-10-9-13(17)15-11-5-7-12(8-6-11)16(2)3/h5-8,14H,4,9-10H2,1-3H3,(H,15,17)
InChIKeyDJXLXNVBGPMFLB-UHFFFAOYSA-N
XLogP1.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012874
N-[4-[(dimethylamino)methyl]phenyl]-3-(ethylamino)propanamide
CID 62833947
3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 62834910
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288
methyl N-[4-[3-(ethylamino)propanoylamino]phenyl]carbamate
CID 62831983
2-[4-[3-(ethylamino)propanoylamino]phenyl]acetic acid
CID 62835723
(2R)-2-chloro-N-[3-[4-(dimethylamino)anilino]-3-oxopropyl]propanamide
CID 40803430
N-[4-(dimethylamino)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
CID 109023421
N-[4-(dimethylamino)phenyl]-4-hydroxypentanamide
CID 79192606
3-(cyclopentylamino)-N-[4-(dimethylamino)phenyl]propanamide
CID 109013731
3-[4-(dimethylamino)anilino]-N-(4-propan-2-ylphenyl)propanamide
CID 109036871
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide (CID 62832499) is N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide is CCNCCC(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide?
The InChIKey is DJXLXNVBGPMFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-14-10-9-13(17)15-11-5-7-12(8-6-11)16(2)3/h5-8,14H,4,9-10H2,1-3H3,(H,15,17).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide?
N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide has a molecular weight of 235.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-(ethylamino)propanamide is sourced from PubChem (CID 62832499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).