3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide

C14H21N3O2 — CID 77043799

IUPAC3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide
SMILESNC(=NO)C(CN(CCO)C1CC1)c1ccccc1
InChIInChI=1S/C14H21N3O2/c15-14(16-19)13(11-4-2-1-3-5-11)10-17(8-9-18)12-6-7-12/h1-5,12-13,18-19H,6-10H2,(H2,15,16)
InChIKeyHGMRPVUCXAFTNU-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.97
Rot. Bonds7

About 3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide

3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide (PubChem CID 77043799) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide
PubChem CID77043799
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide
SMILESNC(=NO)C(CN(CCO)C1CC1)c1ccccc1
InChIInChI=1S/C14H21N3O2/c15-14(16-19)13(11-4-2-1-3-5-11)10-17(8-9-18)12-6-7-12/h1-5,12-13,18-19H,6-10H2,(H2,15,16)
InChIKeyHGMRPVUCXAFTNU-UHFFFAOYSA-N
XLogP0.97
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.97
H-Bond Donors ≤ 53
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

3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 102862953
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77044047
N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide
CID 77043794
3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-3-hydroxyimino-2-phenylpropanamide
CID 76975498
N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide
CID 107200128
N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
CID 77043636
N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide
CID 102632415
4-amino-N'-hydroxy-2-phenylbutanimidamide
CID 141138558
3-cyclohexylsulfanyl-N'-hydroxy-2-phenylpropanimidamide
CID 77044152
3-[ethyl(propan-2-yl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 64538076
3-[cyclopentyl(2-hydroxyethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62617126
3-(dicyclopropylmethylamino)-N'-hydroxy-2-phenylpropanimidamide
CID 77044147

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide?
The IUPAC name of 3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide (CID 77043799) is 3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide.
What is the SMILES notation for 3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide?
The canonical SMILES for 3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide is NC(=NO)C(CN(CCO)C1CC1)c1ccccc1.
What is the InChIKey of 3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide?
The InChIKey is HGMRPVUCXAFTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-14(16-19)13(11-4-2-1-3-5-11)10-17(8-9-18)12-6-7-12/h1-5,12-13,18-19H,6-10H2,(H2,15,16).
What are the key properties of 3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide?
3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide has a molecular weight of 263.34 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide is sourced from PubChem (CID 77043799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).