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

C14H19IN2O2 — CID 61150251

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1ccccc1I
InChIInChI=1S/C14H19IN2O2/c1-3-10(2)17-13(18)8-9-16-14(19)11-6-4-5-7-12(11)15/h4-7,10H,3,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyGVGDJVUUTRBSLO-UHFFFAOYSA-N
MW374.22 g/mol
LogP2.33
Rot. Bonds6

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

N-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide (PubChem CID 61150251) has the molecular formula C14H19IN2O2 and a molecular weight of 374.22 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide
PubChem CID61150251
Molecular FormulaC14H19IN2O2
Molecular Weight374.22 g/mol
Exact Mass374.05
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1ccccc1I
InChIInChI=1S/C14H19IN2O2/c1-3-10(2)17-13(18)8-9-16-14(19)11-6-4-5-7-12(11)15/h4-7,10H,3,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyGVGDJVUUTRBSLO-UHFFFAOYSA-N
XLogP2.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47165784
N-butan-2-yl-2-iodobenzamide
CID 3344108
N-[3-(butan-2-ylamino)-3-oxopropyl]-2,3-dihydroxybenzamide
CID 114344226
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide
CID 80718445
3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 61140590
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide
CID 62662116
3-[[2-(2-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide
CID 61140780
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide
CID 104627763
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide
CID 62242210
N-[(2S)-butan-2-yl]-2-[(2-iodobenzoyl)amino]benzamide
CID 26244706
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948
N-[3-(butan-2-ylamino)-3-oxopropyl]-5-chloro-4-iodo-2-methoxybenzamide
CID 55947023

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide (CID 61150251) is N-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide is CCC(C)NC(=O)CCNC(=O)c1ccccc1I.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide?
The InChIKey is GVGDJVUUTRBSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O2/c1-3-10(2)17-13(18)8-9-16-14(19)11-6-4-5-7-12(11)15/h4-7,10H,3,8-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide has a molecular weight of 374.22 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide is sourced from PubChem (CID 61150251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).