5-(carbamoylamino)-N-(4-iodophenyl)pentanamide

C12H16IN3O2 — CID 29404469

IUPAC5-(carbamoylamino)-N-(4-iodophenyl)pentanamide
SMILESNC(=O)NCCCCC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H16IN3O2/c13-9-4-6-10(7-5-9)16-11(17)3-1-2-8-15-12(14)18/h4-7H,1-3,8H2,(H,16,17)(H3,14,15,18)
InChIKeyQPXYXCLODKEWOW-UHFFFAOYSA-N
MW361.18 g/mol
LogP2.07
Rot. Bonds6

About 5-(carbamoylamino)-N-(4-iodophenyl)pentanamide

5-(carbamoylamino)-N-(4-iodophenyl)pentanamide (PubChem CID 29404469) has the molecular formula C12H16IN3O2 and a molecular weight of 361.18 g/mol. Its IUPAC name is 5-(carbamoylamino)-N-(4-iodophenyl)pentanamide.

Molecular Properties

Compound Name5-(carbamoylamino)-N-(4-iodophenyl)pentanamide
PubChem CID29404469
Molecular FormulaC12H16IN3O2
Molecular Weight361.18 g/mol
Exact Mass361.03
IUPAC Name5-(carbamoylamino)-N-(4-iodophenyl)pentanamide
SMILESNC(=O)NCCCCC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H16IN3O2/c13-9-4-6-10(7-5-9)16-11(17)3-1-2-8-15-12(14)18/h4-7H,1-3,8H2,(H,16,17)(H3,14,15,18)
InChIKeyQPXYXCLODKEWOW-UHFFFAOYSA-N
XLogP2.07
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(4-iodophenyl)nonanediamide
CID 4507998
5-(carbamoylamino)-N-(3-iodophenyl)pentanamide
CID 47114708
5-(carbamoylamino)-N-(4-propan-2-ylphenyl)pentanamide
CID 35019095
N,N'-bis(4-iodophenyl)butanediamide
CID 4250378
[4-[5-(carbamoylamino)pentanoylamino]phenyl]methyl 2-sulfanylacetate
CID 167147307
N-(4-bromo-3-methylphenyl)-5-(carbamoylamino)pentanamide
CID 29206931
5-(carbamoylamino)-N-(4-phenylmethoxyphenyl)pentanamide
CID 9034708
5-(carbamoylamino)-N-(3-methylphenyl)pentanamide
CID 9039147
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
[4-[5-(carbamoylamino)pentanoylamino]phenyl]methyl N-methyl-N-[2-[methyl(2-methylpropanoyl)amino]ethyl]carbamate
CID 142369611
3-[3-(4-iodoanilino)-3-oxopropyl]sulfanyl-N-(4-iodophenyl)propanamide
CID 4079890
4-amino-N-[4-(carbamoylamino)phenyl]butanamide
CID 43711123

Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-N-(4-iodophenyl)pentanamide?
The IUPAC name of 5-(carbamoylamino)-N-(4-iodophenyl)pentanamide (CID 29404469) is 5-(carbamoylamino)-N-(4-iodophenyl)pentanamide.
What is the SMILES notation for 5-(carbamoylamino)-N-(4-iodophenyl)pentanamide?
The canonical SMILES for 5-(carbamoylamino)-N-(4-iodophenyl)pentanamide is NC(=O)NCCCCC(=O)Nc1ccc(I)cc1.
What is the InChIKey of 5-(carbamoylamino)-N-(4-iodophenyl)pentanamide?
The InChIKey is QPXYXCLODKEWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN3O2/c13-9-4-6-10(7-5-9)16-11(17)3-1-2-8-15-12(14)18/h4-7H,1-3,8H2,(H,16,17)(H3,14,15,18).
What are the key properties of 5-(carbamoylamino)-N-(4-iodophenyl)pentanamide?
5-(carbamoylamino)-N-(4-iodophenyl)pentanamide has a molecular weight of 361.18 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-N-(4-iodophenyl)pentanamide is sourced from PubChem (CID 29404469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).