N'-hydroxy-3-[(3-hydroxycyclobutyl)methyl-methylamino]-3-phenylpropanimidamide

C15H23N3O2 — CID 77104932

IUPACN'-hydroxy-3-[(3-hydroxycyclobutyl)methyl-methylamino]-3-phenylpropanimidamide
SMILESCN(CC1CC(O)C1)C(CC(N)=NO)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-18(10-11-7-13(19)8-11)14(9-15(16)17-20)12-5-3-2-4-6-12/h2-6,11,13-14,19-20H,7-10H2,1H3,(H2,16,17)
InChIKeyAYRMQWQCKXQQDE-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.57
Rot. Bonds6

About N'-hydroxy-3-[(3-hydroxycyclobutyl)methyl-methylamino]-3-phenylpropanimidamide

N'-hydroxy-3-[(3-hydroxycyclobutyl)methyl-methylamino]-3-phenylpropanimidamide (PubChem CID 77104932) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N'-hydroxy-3-[(3-hydroxycyclobutyl)methyl-methylamino]-3-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[(3-hydroxycyclobutyl)methyl-methylamino]-3-phenylpropanimidamide
PubChem CID77104932
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN'-hydroxy-3-[(3-hydroxycyclobutyl)methyl-methylamino]-3-phenylpropanimidamide
SMILESCN(CC1CC(O)C1)C(CC(N)=NO)c1ccccc1
InChIInChI=1S/C15H23N3O2/c1-18(10-11-7-13(19)8-11)14(9-15(16)17-20)12-5-3-2-4-6-12/h2-6,11,13-14,19-20H,7-10H2,1H3,(H2,16,17)
InChIKeyAYRMQWQCKXQQDE-UHFFFAOYSA-N
XLogP1.57
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.57
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-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 76949093
N'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide
CID 76949179
3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 76949207
N'-hydroxy-3-[methyl(pentan-3-yl)amino]-3-phenylpropanimidamide
CID 76949064
3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 81055642
N'-hydroxy-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-phenylpropanimidamide
CID 76949048
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-3-phenylpropanethioamide
CID 63275740
3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol
CID 111489141
3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-3-phenylpropanoic acid
CID 79317422
N'-hydroxy-3-(3-hydroxypyrrolidin-1-yl)-3-phenylpropanimidamide
CID 76981291
2-fluoro-N'-hydroxy-3-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 107117189
N'-hydroxy-2-[(3-hydroxycyclobutyl)methyl-methylamino]pyrimidine-4-carboximidamide
CID 136986741

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[(3-hydroxycyclobutyl)methyl-methylamino]-3-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[(3-hydroxycyclobutyl)methyl-methylamino]-3-phenylpropanimidamide (CID 77104932) is N'-hydroxy-3-[(3-hydroxycyclobutyl)methyl-methylamino]-3-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[(3-hydroxycyclobutyl)methyl-methylamino]-3-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[(3-hydroxycyclobutyl)methyl-methylamino]-3-phenylpropanimidamide is CN(CC1CC(O)C1)C(CC(N)=NO)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-[(3-hydroxycyclobutyl)methyl-methylamino]-3-phenylpropanimidamide?
The InChIKey is AYRMQWQCKXQQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(10-11-7-13(19)8-11)14(9-15(16)17-20)12-5-3-2-4-6-12/h2-6,11,13-14,19-20H,7-10H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-[(3-hydroxycyclobutyl)methyl-methylamino]-3-phenylpropanimidamide?
N'-hydroxy-3-[(3-hydroxycyclobutyl)methyl-methylamino]-3-phenylpropanimidamide has a molecular weight of 277.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[(3-hydroxycyclobutyl)methyl-methylamino]-3-phenylpropanimidamide is sourced from PubChem (CID 77104932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).