N-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide

C15H23IN4O3 — CID 142817541

IUPACN-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)NI)cc1OC
InChIInChI=1S/C15H23IN4O3/c1-4-20(5-2)9-8-17-14(21)12-7-6-11(10-13(12)23-3)18-15(22)19-16/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,21)(H2,18,19,22)
InChIKeySYTBBUGETUHWHL-UHFFFAOYSA-N
MW434.28 g/mol
LogP2.24
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide

N-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide (PubChem CID 142817541) has the molecular formula C15H23IN4O3 and a molecular weight of 434.28 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide
PubChem CID142817541
Molecular FormulaC15H23IN4O3
Molecular Weight434.28 g/mol
Exact Mass434.08
IUPAC NameN-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)NI)cc1OC
InChIInChI=1S/C15H23IN4O3/c1-4-20(5-2)9-8-17-14(21)12-7-6-11(10-13(12)23-3)18-15(22)19-16/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,21)(H2,18,19,22)
InChIKeySYTBBUGETUHWHL-UHFFFAOYSA-N
XLogP2.24
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.28
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxybenzoyl)amino]-2-methoxybenzamide
CID 66934739
N-[4-[2-(diethylamino)ethylcarbamoyl]-3-methoxyphenyl]-4-methoxythiophene-2-carboxamide
CID 75430673
N-[2-(diethylamino)ethyl]-2-methoxy-4-[(1-oxo-1-phenylpropan-2-yl)amino]benzamide
CID 142899826
4-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
CID 75430674
N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]benzamide
CID 3883285
N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide
CID 12790645
4-acetamido-N-[4-[butyl(methyl)amino]butyl]-2-methoxybenzamide
CID 16748476
N-[2-(diethylamino)ethyl]-2-methoxy-4-[(4-phenoxyphenyl)methyl]benzamide
CID 58730741
N-[2-(diethylamino)ethyl]-5-[(2-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 42755681
N-[2-(diethylamino)ethyl]-2-fluoro-4-methoxybenzamide
CID 103602887
N-[2-(diethylamino)ethyl]-4-(4-hydroxy-N-(2-phenylacetyl)anilino)-2-methoxybenzamide
CID 91565545
N-[2-(diethylamino)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(3-methylphenyl)carbamoylamino]benzamide
CID 42661965

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide (CID 142817541) is N-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)NI)cc1OC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide?
The InChIKey is SYTBBUGETUHWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN4O3/c1-4-20(5-2)9-8-17-14(21)12-7-6-11(10-13(12)23-3)18-15(22)19-16/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,21)(H2,18,19,22).
What are the key properties of N-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide?
N-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide has a molecular weight of 434.28 g/mol, XLogP of 2.24, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-(iodocarbamoylamino)-2-methoxybenzamide is sourced from PubChem (CID 142817541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).