N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide

C22H35N5O2 — CID 111723403

IUPACN,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCCCN1CCOCC1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C22H35N5O2/c1-25(2)21(28)17-24-22(23-10-6-11-26-13-15-29-16-14-26)27-12-9-20(18-27)19-7-4-3-5-8-19/h3-5,7-8,20H,6,9-18H2,1-2H3,(H,23,24)
InChIKeyDVFXNMKYVIZGQV-UHFFFAOYSA-N
MW401.56 g/mol
LogP1.23
Rot. Bonds7

About N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide

N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide (PubChem CID 111723403) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide
PubChem CID111723403
Molecular FormulaC22H35N5O2
Molecular Weight401.56 g/mol
Exact Mass401.28
IUPAC NameN,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCCCN1CCOCC1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C22H35N5O2/c1-25(2)21(28)17-24-22(23-10-6-11-26-13-15-29-16-14-26)27-12-9-20(18-27)19-7-4-3-5-8-19/h3-5,7-8,20H,6,9-18H2,1-2H3,(H,23,24)
InChIKeyDVFXNMKYVIZGQV-UHFFFAOYSA-N
XLogP1.23
TPSA60.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[[[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
CID 111741763
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110961770
2-[[2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110048380
N,N-dimethyl-2-[[[3-(2-methylpropyl)pyrrolidin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 111734376
N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-(4-phenoxypiperidin-1-yl)methylidene]amino]acetamide
CID 110042829
N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methylidene]amino]acetamide
CID 110038625
2-[1-[N'-[2-(dimethylamino)-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)carbamimidoyl]piperidin-3-yl]acetamide;hydroiodide
CID 110044456
N,N-dimethyl-2-[[[3-(N-methylanilino)propylamino]-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 111742924
2-[[[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111748619
2-[[[4-(furan-2-carbonyl)piperazin-1-yl]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111167016
N'-methyl-3-phenyl-N-(4-pyrrolidin-1-ylbutyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111723512
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(2-propan-2-ylthiomorpholin-4-yl)methylidene]amino]acetamide
CID 110044535

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide (CID 111723403) is N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide is CN(C)C(=O)C/N=C(\NCCCN1CCOCC1)N1CCC(c2ccccc2)C1.
What is the InChIKey of N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide?
The InChIKey is DVFXNMKYVIZGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O2/c1-25(2)21(28)17-24-22(23-10-6-11-26-13-15-29-16-14-26)27-12-9-20(18-27)19-7-4-3-5-8-19/h3-5,7-8,20H,6,9-18H2,1-2H3,(H,23,24).
What are the key properties of N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide?
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide has a molecular weight of 401.56 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(3-phenylpyrrolidin-1-yl)methylidene]amino]acetamide is sourced from PubChem (CID 111723403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).