N,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanamide

C16H25N3O — CID 43778128

IUPACN,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanamide
SMILESCC(NCc1ccc(N2CCCC2)cc1)C(=O)N(C)C
InChIInChI=1S/C16H25N3O/c1-13(16(20)18(2)3)17-12-14-6-8-15(9-7-14)19-10-4-5-11-19/h6-9,13,17H,4-5,10-12H2,1-3H3
InChIKeyYJTIUQKQHUBSRA-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.85
Rot. Bonds5

About N,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanamide

N,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanamide (PubChem CID 43778128) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanamide
PubChem CID43778128
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanamide
SMILESCC(NCc1ccc(N2CCCC2)cc1)C(=O)N(C)C
InChIInChI=1S/C16H25N3O/c1-13(16(20)18(2)3)17-12-14-6-8-15(9-7-14)19-10-4-5-11-19/h6-9,13,17H,4-5,10-12H2,1-3H3
InChIKeyYJTIUQKQHUBSRA-UHFFFAOYSA-N
XLogP1.85
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanoate
CID 60781924
N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 7060595
2-[(4-cyclopropylphenyl)methylamino]-N,N-dimethylpropanamide
CID 79979065
1-[(4-piperidin-1-ylphenyl)methyl]-3-propan-2-ylurea
CID 47278796
3-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]butan-1-ol
CID 79254755
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)-N,N-dimethylpropanamide
CID 60871279
N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110647246
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
N,N-dimethyl-2-[[4-(3-methylbutoxy)phenyl]methylamino]propanamide
CID 43573860
N,N-dimethyl-2-[(4-prop-2-enoxyphenyl)methylamino]propanamide
CID 43573850
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43280408
2-[(3,5-dimethylphenyl)methylamino]-N,N-dimethylpropanamide
CID 54983664

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanamide?
The IUPAC name of N,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanamide (CID 43778128) is N,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanamide is CC(NCc1ccc(N2CCCC2)cc1)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanamide?
The InChIKey is YJTIUQKQHUBSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(16(20)18(2)3)17-12-14-6-8-15(9-7-14)19-10-4-5-11-19/h6-9,13,17H,4-5,10-12H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanamide?
N,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanamide has a molecular weight of 275.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]propanamide is sourced from PubChem (CID 43778128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).