N-[1-[3-[4-(dimethylamino)phenyl]propylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide

C19H29N3O2 — CID 51108522

IUPACN-[1-[3-[4-(dimethylamino)phenyl]propylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESCC(NC(=O)C1CCC1)C(=O)NCCCc1ccc(N(C)C)cc1
InChIInChI=1S/C19H29N3O2/c1-14(21-19(24)16-7-4-8-16)18(23)20-13-5-6-15-9-11-17(12-10-15)22(2)3/h9-12,14,16H,4-8,13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyIQZMZIHNRJQWNI-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.11
Rot. Bonds8

About N-[1-[3-[4-(dimethylamino)phenyl]propylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide

N-[1-[3-[4-(dimethylamino)phenyl]propylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide (PubChem CID 51108522) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[1-[3-[4-(dimethylamino)phenyl]propylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-[4-(dimethylamino)phenyl]propylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
PubChem CID51108522
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[1-[3-[4-(dimethylamino)phenyl]propylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESCC(NC(=O)C1CCC1)C(=O)NCCCc1ccc(N(C)C)cc1
InChIInChI=1S/C19H29N3O2/c1-14(21-19(24)16-7-4-8-16)18(23)20-13-5-6-15-9-11-17(12-10-15)22(2)3/h9-12,14,16H,4-8,13H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyIQZMZIHNRJQWNI-UHFFFAOYSA-N
XLogP2.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 18137263
N'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16892026
N-[3-[4-(dimethylamino)phenyl]propyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55683504
1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea
CID 91644552
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 42109135
N-[3-(4-chlorophenyl)propyl]cyclopentanecarboxamide
CID 100733512
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104065
[(2S)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]carbamic acid
CID 70494365
2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 18164478
N-[3-(4-sulfamoylphenyl)propyl]cyclobutanecarboxamide
CID 60905854
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111504886
(2R)-N-tert-butyl-2-[2-[4-(dimethylamino)phenyl]ethylcarbamoylamino]propanamide
CID 95326604

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[4-(dimethylamino)phenyl]propylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[3-[4-(dimethylamino)phenyl]propylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide (CID 51108522) is N-[1-[3-[4-(dimethylamino)phenyl]propylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[3-[4-(dimethylamino)phenyl]propylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[3-[4-(dimethylamino)phenyl]propylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide is CC(NC(=O)C1CCC1)C(=O)NCCCc1ccc(N(C)C)cc1.
What is the InChIKey of N-[1-[3-[4-(dimethylamino)phenyl]propylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The InChIKey is IQZMZIHNRJQWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(21-19(24)16-7-4-8-16)18(23)20-13-5-6-15-9-11-17(12-10-15)22(2)3/h9-12,14,16H,4-8,13H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-[1-[3-[4-(dimethylamino)phenyl]propylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
N-[1-[3-[4-(dimethylamino)phenyl]propylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[4-(dimethylamino)phenyl]propylamino]-1-oxopropan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 51108522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).