N-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]-3-methoxybenzamide

C21H35N5O2 — CID 111017805

IUPACN-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]-3-methoxybenzamide
SMILESCCCN1CCC(N/C(=N/CCNC(=O)c2cccc(OC)c2)NCC)CC1
InChIInChI=1S/C21H35N5O2/c1-4-13-26-14-9-18(10-15-26)25-21(22-5-2)24-12-11-23-20(27)17-7-6-8-19(16-17)28-3/h6-8,16,18H,4-5,9-15H2,1-3H3,(H,23,27)(H2,22,24,25)
InChIKeyRRMYVNALDQVOQF-UHFFFAOYSA-N
MW389.54 g/mol
LogP1.85
Rot. Bonds9

About N-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]-3-methoxybenzamide

N-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]-3-methoxybenzamide (PubChem CID 111017805) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]-3-methoxybenzamide
PubChem CID111017805
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC NameN-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]-3-methoxybenzamide
SMILESCCCN1CCC(N/C(=N/CCNC(=O)c2cccc(OC)c2)NCC)CC1
InChIInChI=1S/C21H35N5O2/c1-4-13-26-14-9-18(10-15-26)25-21(22-5-2)24-12-11-23-20(27)17-7-6-8-19(16-17)28-3/h6-8,16,18H,4-5,9-15H2,1-3H3,(H,23,27)(H2,22,24,25)
InChIKeyRRMYVNALDQVOQF-UHFFFAOYSA-N
XLogP1.85
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 51.85
H-Bond Donors ≤ 53
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'}

Analyze N-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]propyl]-3-hydroxybenzamide;hydroiodide
CID 111018688
N-[2-[[ethylamino-[[1-(4-methylphenyl)pyrrolidin-3-yl]amino]methylidene]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 111923734
1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111791654
N-[2-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]ethyl]-3-methoxybenzamide
CID 111416279
N-[2-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]-3-methoxybenzamide
CID 111188269
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 110944029
N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide
CID 110992709
3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)benzamide
CID 17249842
N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]benzamide;hydroiodide
CID 110988293
3,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 17250187
tert-butyl N-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]carbamate
CID 111019949

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]-3-methoxybenzamide (CID 111017805) is N-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]-3-methoxybenzamide is CCCN1CCC(N/C(=N/CCNC(=O)c2cccc(OC)c2)NCC)CC1.
What is the InChIKey of N-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]-3-methoxybenzamide?
The InChIKey is RRMYVNALDQVOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-4-13-26-14-9-18(10-15-26)25-21(22-5-2)24-12-11-23-20(27)17-7-6-8-19(16-17)28-3/h6-8,16,18H,4-5,9-15H2,1-3H3,(H,23,27)(H2,22,24,25).
What are the key properties of N-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]-3-methoxybenzamide?
N-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]-3-methoxybenzamide has a molecular weight of 389.54 g/mol, XLogP of 1.85, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 111017805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).