2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide

C13H26N4O3 — CID 76925048

IUPAC2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide
SMILESCCCC(C(=O)NCCCN1CCOCC1)C(N)=NO
InChIInChI=1S/C13H26N4O3/c1-2-4-11(12(14)16-19)13(18)15-5-3-6-17-7-9-20-10-8-17/h11,19H,2-10H2,1H3,(H2,14,16)(H,15,18)
InChIKeyJWMGGRGDDXQAFL-UHFFFAOYSA-N
MW286.38 g/mol
LogP-0.01
Rot. Bonds8

About 2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide

2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide (PubChem CID 76925048) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide
PubChem CID76925048
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide
SMILESCCCC(C(=O)NCCCN1CCOCC1)C(N)=NO
InChIInChI=1S/C13H26N4O3/c1-2-4-11(12(14)16-19)13(18)15-5-3-6-17-7-9-20-10-8-17/h11,19H,2-10H2,1H3,(H2,14,16)(H,15,18)
InChIKeyJWMGGRGDDXQAFL-UHFFFAOYSA-N
XLogP-0.01
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)butanamide
CID 76926499
2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide
CID 76925702
(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide
CID 93339966
N'-hydroxy-2-(3-morpholin-4-ylpropylamino)butanimidamide
CID 77028984
(2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
CID 107566142
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
3-amino-3-hydroxyimino-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 76980068
2-(N'-hydroxycarbamimidoyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79350952
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride
CID 119827262
ethyl 2-(3-morpholin-4-ylpropylamino)pentanoate
CID 83038145
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide (CID 76925048) is 2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide is CCCC(C(=O)NCCCN1CCOCC1)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide?
The InChIKey is JWMGGRGDDXQAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3/c1-2-4-11(12(14)16-19)13(18)15-5-3-6-17-7-9-20-10-8-17/h11,19H,2-10H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide?
2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide has a molecular weight of 286.38 g/mol, XLogP of -0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide is sourced from PubChem (CID 76925048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).