N-[5-(carbamoylamino)pentan-2-yl]-2-formamido-3-methylbutanamide;ethane;formamide;1-pentylpyrrole-2,5-dione

C24H46N6O6 — CID 142561784

IUPACN-[5-(carbamoylamino)pentan-2-yl]-2-formamido-3-methylbutanamide;ethane;formamide;1-pentylpyrrole-2,5-dione
SMILESCC.CC(CCCNC(N)=O)NC(=O)C(NC=O)C(C)C.CCCCCN1C(=O)C=CC1=O.NC=O
InChIInChI=1S/C12H24N4O3.C9H13NO2.C2H6.CH3NO/c1-8(2)10(15-7-17)11(18)16-9(3)5-4-6-14-12(13)19;1-2-3-4-7-10-8(11)5-6-9(10)12;1-2;2-1-3/h7-10H,4-6H2,1-3H3,(H,15,17)(H,16,18)(H3,13,14,19);5-6H,2-4,7H2,1H3;1-2H3;1H,(H2,2,3)
InChIKeyHWEKTNKSRIAGIS-UHFFFAOYSA-N
MW514.67 g/mol
LogP0.94
Rot. Bonds13

About N-[5-(carbamoylamino)pentan-2-yl]-2-formamido-3-methylbutanamide;ethane;formamide;1-pentylpyrrole-2,5-dione

N-[5-(carbamoylamino)pentan-2-yl]-2-formamido-3-methylbutanamide;ethane;formamide;1-pentylpyrrole-2,5-dione (PubChem CID 142561784) has the molecular formula C24H46N6O6 and a molecular weight of 514.67 g/mol. Its IUPAC name is N-[5-(carbamoylamino)pentan-2-yl]-2-formamido-3-methylbutanamide;ethane;formamide;1-pentylpyrrole-2,5-dione.

Molecular Properties

Compound NameN-[5-(carbamoylamino)pentan-2-yl]-2-formamido-3-methylbutanamide;ethane;formamide;1-pentylpyrrole-2,5-dione
PubChem CID142561784
Molecular FormulaC24H46N6O6
Molecular Weight514.67 g/mol
Exact Mass514.35
IUPAC NameN-[5-(carbamoylamino)pentan-2-yl]-2-formamido-3-methylbutanamide;ethane;formamide;1-pentylpyrrole-2,5-dione
SMILESCC.CC(CCCNC(N)=O)NC(=O)C(NC=O)C(C)C.CCCCCN1C(=O)C=CC1=O.NC=O
InChIInChI=1S/C12H24N4O3.C9H13NO2.C2H6.CH3NO/c1-8(2)10(15-7-17)11(18)16-9(3)5-4-6-14-12(13)19;1-2-3-4-7-10-8(11)5-6-9(10)12;1-2;2-1-3/h7-10H,4-6H2,1-3H3,(H,15,17)(H,16,18)(H3,13,14,19);5-6H,2-4,7H2,1H3;1-2H3;1H,(H2,2,3)
InChIKeyHWEKTNKSRIAGIS-UHFFFAOYSA-N
XLogP0.94
TPSA193.79 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.67
LogP ≤ 50.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(carbamoylamino)pentan-2-yl]-2-formamido-3-methylbutanamide;ethane;formamide;1-pentylpyrrole-2,5-dione?
The IUPAC name of N-[5-(carbamoylamino)pentan-2-yl]-2-formamido-3-methylbutanamide;ethane;formamide;1-pentylpyrrole-2,5-dione (CID 142561784) is N-[5-(carbamoylamino)pentan-2-yl]-2-formamido-3-methylbutanamide;ethane;formamide;1-pentylpyrrole-2,5-dione.
What is the SMILES notation for N-[5-(carbamoylamino)pentan-2-yl]-2-formamido-3-methylbutanamide;ethane;formamide;1-pentylpyrrole-2,5-dione?
The canonical SMILES for N-[5-(carbamoylamino)pentan-2-yl]-2-formamido-3-methylbutanamide;ethane;formamide;1-pentylpyrrole-2,5-dione is CC.CC(CCCNC(N)=O)NC(=O)C(NC=O)C(C)C.CCCCCN1C(=O)C=CC1=O.NC=O.
What is the InChIKey of N-[5-(carbamoylamino)pentan-2-yl]-2-formamido-3-methylbutanamide;ethane;formamide;1-pentylpyrrole-2,5-dione?
The InChIKey is HWEKTNKSRIAGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3.C9H13NO2.C2H6.CH3NO/c1-8(2)10(15-7-17)11(18)16-9(3)5-4-6-14-12(13)19;1-2-3-4-7-10-8(11)5-6-9(10)12;1-2;2-1-3/h7-10H,4-6H2,1-3H3,(H,15,17)(H,16,18)(H3,13,14,19);5-6H,2-4,7H2,1H3;1-2H3;1H,(H2,2,3).
What are the key properties of N-[5-(carbamoylamino)pentan-2-yl]-2-formamido-3-methylbutanamide;ethane;formamide;1-pentylpyrrole-2,5-dione?
N-[5-(carbamoylamino)pentan-2-yl]-2-formamido-3-methylbutanamide;ethane;formamide;1-pentylpyrrole-2,5-dione has a molecular weight of 514.67 g/mol, XLogP of 0.94, 13 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(carbamoylamino)pentan-2-yl]-2-formamido-3-methylbutanamide;ethane;formamide;1-pentylpyrrole-2,5-dione is sourced from PubChem (CID 142561784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).