N-[3-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide

C21H27N5O2 — CID 110925915

IUPACN-[3-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
SMILESN/C(=N\Cc1cccc(NC(=O)CCN2CCOCC2)c1)Nc1ccccc1
InChIInChI=1S/C21H27N5O2/c22-21(25-18-6-2-1-3-7-18)23-16-17-5-4-8-19(15-17)24-20(27)9-10-26-11-13-28-14-12-26/h1-8,15H,9-14,16H2,(H,24,27)(H3,22,23,25)
InChIKeyDCFSMAOGBYHWBD-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.27
Rot. Bonds7

About N-[3-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide

N-[3-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide (PubChem CID 110925915) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[3-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[3-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
PubChem CID110925915
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[3-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
SMILESN/C(=N\Cc1cccc(NC(=O)CCN2CCOCC2)c1)Nc1ccccc1
InChIInChI=1S/C21H27N5O2/c22-21(25-18-6-2-1-3-7-18)23-16-17-5-4-8-19(15-17)24-20(27)9-10-26-11-13-28-14-12-26/h1-8,15H,9-14,16H2,(H,24,27)(H3,22,23,25)
InChIKeyDCFSMAOGBYHWBD-UHFFFAOYSA-N
XLogP2.27
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111054305
N-[3-[[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide;hydroiodide
CID 111054322
N-[3-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 110948108
N-[3-[[[ethylamino-[(2-methylphenyl)methylamino]methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111360103
N-[3-[[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111738990
2-(2-morpholin-4-ylethyl)-1-phenylguanidine
CID 62364486
N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
CID 16779088
N-[3-[[[ethylamino-(4-methylpentylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111943393
N-[3-[[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 111136263
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide
CID 60536022
N-[3-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide;hydroiodide
CID 111580379
3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55946576

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[3-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide (CID 110925915) is N-[3-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[3-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[3-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide is N/C(=N\Cc1cccc(NC(=O)CCN2CCOCC2)c1)Nc1ccccc1.
What is the InChIKey of N-[3-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
The InChIKey is DCFSMAOGBYHWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c22-21(25-18-6-2-1-3-7-18)23-16-17-5-4-8-19(15-17)24-20(27)9-10-26-11-13-28-14-12-26/h1-8,15H,9-14,16H2,(H,24,27)(H3,22,23,25).
What are the key properties of N-[3-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide?
N-[3-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide has a molecular weight of 381.48 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 110925915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).