N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide

C14H19IN2O3 — CID 104627763

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C14H19IN2O3/c1-3-9(2)17-13(19)6-7-16-14(20)10-4-5-11(15)12(18)8-10/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyMSGREQHXRKAFIY-UHFFFAOYSA-N
MW390.22 g/mol
LogP2.03
Rot. Bonds6

About N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide (PubChem CID 104627763) has the molecular formula C14H19IN2O3 and a molecular weight of 390.22 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide
PubChem CID104627763
Molecular FormulaC14H19IN2O3
Molecular Weight390.22 g/mol
Exact Mass390.04
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C14H19IN2O3/c1-3-9(2)17-13(19)6-7-16-14(20)10-4-5-11(15)12(18)8-10/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyMSGREQHXRKAFIY-UHFFFAOYSA-N
XLogP2.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide
CID 94816425
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide
CID 94816424
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191435
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide
CID 61053305
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide
CID 61150251
3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 103734931
N-[3-(butan-2-ylamino)-3-oxopropyl]-2,3-dihydroxybenzamide
CID 114344226
N-hexyl-3-hydroxy-4-iodobenzamide
CID 104627562
N-(2-ethylsulfonylethyl)-3-hydroxy-4-iodobenzamide
CID 104628255
3-hydroxy-4-iodo-N-(3-methylsulfanylbutyl)benzamide
CID 113434734
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide
CID 60552825
N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-4-iodobenzamide
CID 113434653

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide (CID 104627763) is N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide is CCC(C)NC(=O)CCNC(=O)c1ccc(I)c(O)c1.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide?
The InChIKey is MSGREQHXRKAFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O3/c1-3-9(2)17-13(19)6-7-16-14(20)10-4-5-11(15)12(18)8-10/h4-5,8-9,18H,3,6-7H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide has a molecular weight of 390.22 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide is sourced from PubChem (CID 104627763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).