N-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide

C18H30N4O — CID 109016988

IUPACN-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide
SMILESCN(C)CCCNC(=O)CCNc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H30N4O/c1-21(2)13-5-11-20-18(23)10-12-19-16-6-8-17(9-7-16)22-14-3-4-15-22/h6-9,19H,3-5,10-15H2,1-2H3,(H,20,23)
InChIKeyKXVJBVIWOHQUAZ-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.16
Rot. Bonds9

About N-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide

N-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide (PubChem CID 109016988) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide
PubChem CID109016988
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC NameN-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide
SMILESCN(C)CCCNC(=O)CCNc1ccc(N2CCCC2)cc1
InChIInChI=1S/C18H30N4O/c1-21(2)13-5-11-20-18(23)10-12-19-16-6-8-17(9-7-16)22-14-3-4-15-22/h6-9,19H,3-5,10-15H2,1-2H3,(H,20,23)
InChIKeyKXVJBVIWOHQUAZ-UHFFFAOYSA-N
XLogP2.16
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109016992
N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 108994702
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
1-N-[3-(dimethylamino)propyl]-1-N'-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108973858
N-(2-morpholin-4-ylethyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109016647
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017002
N,N-diethyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109030656
3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017023
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848
N-[3-(dimethylamino)propyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109229852

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide (CID 109016988) is N-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide is CN(C)CCCNC(=O)CCNc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide?
The InChIKey is KXVJBVIWOHQUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-21(2)13-5-11-20-18(23)10-12-19-16-6-8-17(9-7-16)22-14-3-4-15-22/h6-9,19H,3-5,10-15H2,1-2H3,(H,20,23).
What are the key properties of N-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide?
N-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide has a molecular weight of 318.47 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide is sourced from PubChem (CID 109016988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).