N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methyl-2-(methylamino)pentanamide

C26H40N4O — CID 25061548

IUPACN-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methyl-2-(methylamino)pentanamide
SMILESCCN(CC)c1ccc(CN(C(=O)C(CC(C)C)NC)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C26H40N4O/c1-8-29(9-2)23-12-10-21(11-13-23)19-30(26(31)25(27-5)18-20(3)4)24-16-14-22(15-17-24)28(6)7/h10-17,20,25,27H,8-9,18-19H2,1-7H3
InChIKeyAWNPAJHNJBVHIR-UHFFFAOYSA-N
MW424.63 g/mol
LogP4.77
Rot. Bonds11

About N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methyl-2-(methylamino)pentanamide

N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methyl-2-(methylamino)pentanamide (PubChem CID 25061548) has the molecular formula C26H40N4O and a molecular weight of 424.63 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methyl-2-(methylamino)pentanamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methyl-2-(methylamino)pentanamide
PubChem CID25061548
Molecular FormulaC26H40N4O
Molecular Weight424.63 g/mol
Exact Mass424.32
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methyl-2-(methylamino)pentanamide
SMILESCCN(CC)c1ccc(CN(C(=O)C(CC(C)C)NC)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C26H40N4O/c1-8-29(9-2)23-12-10-21(11-13-23)19-30(26(31)25(27-5)18-20(3)4)24-16-14-22(15-17-24)28(6)7/h10-17,20,25,27H,8-9,18-19H2,1-7H3
InChIKeyAWNPAJHNJBVHIR-UHFFFAOYSA-N
XLogP4.77
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.63
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methylpent-2-enamide
CID 74380488
(E)-N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-[4-(methylamino)phenyl]pent-2-enamide
CID 70295609
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 60682717
3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 62669455
3-[4-(dimethylamino)phenyl]-2-(methylamino)propanoic acid
CID 69460954
(2S)-2-[[4-(dimethylamino)phenyl]methyl-methylamino]-4-methylpentanoic acid
CID 54010435
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54995849
1-[4-(diethylamino)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 23366297
(2S)-N-formyl-N,4-dimethyl-2-(methylamino)pentanamide
CID 135143266
N-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide
CID 78801142
(2R)-2-[[4-(dimethylamino)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 122069284
N-[[4-(dimethylamino)phenyl]methyl]-2-(N-ethyl-4-fluoroanilino)-N-methylacetamide
CID 78826763

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methyl-2-(methylamino)pentanamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methyl-2-(methylamino)pentanamide (CID 25061548) is N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methyl-2-(methylamino)pentanamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methyl-2-(methylamino)pentanamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methyl-2-(methylamino)pentanamide is CCN(CC)c1ccc(CN(C(=O)C(CC(C)C)NC)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methyl-2-(methylamino)pentanamide?
The InChIKey is AWNPAJHNJBVHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O/c1-8-29(9-2)23-12-10-21(11-13-23)19-30(26(31)25(27-5)18-20(3)4)24-16-14-22(15-17-24)28(6)7/h10-17,20,25,27H,8-9,18-19H2,1-7H3.
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methyl-2-(methylamino)pentanamide?
N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methyl-2-(methylamino)pentanamide has a molecular weight of 424.63 g/mol, XLogP of 4.77, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-N-[4-(dimethylamino)phenyl]-4-methyl-2-(methylamino)pentanamide is sourced from PubChem (CID 25061548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).