N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1-benzofuran-3-carboxamide

C15H17N3O3 — CID 77020926

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1-benzofuran-3-carboxamide
SMILESNC(CCN(C(=O)c1coc2ccccc12)C1CC1)=NO
InChIInChI=1S/C15H17N3O3/c16-14(17-20)7-8-18(10-5-6-10)15(19)12-9-21-13-4-2-1-3-11(12)13/h1-4,9-10,20H,5-8H2,(H2,16,17)
InChIKeyYTCPRKDTVYTYBF-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.17
Rot. Bonds5

About N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1-benzofuran-3-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1-benzofuran-3-carboxamide (PubChem CID 77020926) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1-benzofuran-3-carboxamide
PubChem CID77020926
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1-benzofuran-3-carboxamide
SMILESNC(CCN(C(=O)c1coc2ccccc12)C1CC1)=NO
InChIInChI=1S/C15H17N3O3/c16-14(17-20)7-8-18(10-5-6-10)15(19)12-9-21-13-4-2-1-3-11(12)13/h1-4,9-10,20H,5-8H2,(H2,16,17)
InChIKeyYTCPRKDTVYTYBF-UHFFFAOYSA-N
XLogP2.17
TPSA92.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

N-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide
CID 80658406
N-(3-bromopropyl)-N-cyclobutyl-1-benzofuran-3-carboxamide
CID 102872243
N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1-benzofuran-3-carboxamide
CID 77020847
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dimethylbenzamide
CID 76911641
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3,4-trifluorobenzamide
CID 79755748
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-bromo-N-cyclopropyl-3-methylbenzamide
CID 107983677
N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide
CID 54997157
N-ethyl-N-(oxolan-3-yl)-1-benzofuran-3-carboxamide
CID 136544061
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide
CID 76945662
N-(cyclopropylmethyl)-N-propyl-1-benzofuran-3-carboxamide
CID 77086659
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 77020927
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-5-iodothiophene-3-carboxamide
CID 79683756

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1-benzofuran-3-carboxamide (CID 77020926) is N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1-benzofuran-3-carboxamide is NC(CCN(C(=O)c1coc2ccccc12)C1CC1)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1-benzofuran-3-carboxamide?
The InChIKey is YTCPRKDTVYTYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c16-14(17-20)7-8-18(10-5-6-10)15(19)12-9-21-13-4-2-1-3-11(12)13/h1-4,9-10,20H,5-8H2,(H2,16,17).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1-benzofuran-3-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1-benzofuran-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 77020926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).